U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15ClN2O4
Molecular Weight 298.722
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(ACETYLAMINO)-2-CHLORO-5-METHOXYPHENYL)-3-OXOBUTYRAMIDE

SMILES

COC1=C(NC(C)=O)C=C(Cl)C(NC(=O)CC(C)=O)=C1

InChI

InChIKey=AEHKSCQHBUCHTF-UHFFFAOYSA-N
InChI=1S/C13H15ClN2O4/c1-7(17)4-13(19)16-10-6-12(20-3)11(5-9(10)14)15-8(2)18/h5-6H,4H2,1-3H3,(H,15,18)(H,16,19)

HIDE SMILES / InChI

Molecular Formula C13H15ClN2O4
Molecular Weight 298.722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:06:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:06 GMT 2023
Record UNII
2KY9ZZ29LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(ACETYLAMINO)-2-CHLORO-5-METHOXYPHENYL)-3-OXOBUTYRAMIDE
Systematic Name English
N-(4-(ACETYLAMINO)-2-CHLORO-5-METHOXYPHENYL)-3-OXOBUTANAMIDE
Systematic Name English
BUTANAMIDE, N-(4-(ACETYLAMINO)-2-CHLORO-5-METHOXYPHENYL)-3-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3019748
Created by admin on Sat Dec 16 19:06:06 GMT 2023 , Edited by admin on Sat Dec 16 19:06:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
282-349-0
Created by admin on Sat Dec 16 19:06:06 GMT 2023 , Edited by admin on Sat Dec 16 19:06:06 GMT 2023
PRIMARY
CAS
84176-82-9
Created by admin on Sat Dec 16 19:06:06 GMT 2023 , Edited by admin on Sat Dec 16 19:06:06 GMT 2023
PRIMARY
FDA UNII
2KY9ZZ29LN
Created by admin on Sat Dec 16 19:06:06 GMT 2023 , Edited by admin on Sat Dec 16 19:06:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID10233100
Created by admin on Sat Dec 16 19:06:06 GMT 2023 , Edited by admin on Sat Dec 16 19:06:06 GMT 2023
PRIMARY