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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14ClNO
Molecular Weight 211.688
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(CHLOROMETHYL)-N-(ISOPROPYL)BENZAMIDE

SMILES

CC(C)NC(=O)C1=CC=C(CCl)C=C1

InChI

InChIKey=RPFIHLIZZKXZAY-UHFFFAOYSA-N
InChI=1S/C11H14ClNO/c1-8(2)13-11(14)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H14ClNO
Molecular Weight 211.688
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 12:28:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:14 GMT 2023
Record UNII
A235PDE257
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(CHLOROMETHYL)-N-(ISOPROPYL)BENZAMIDE
Systematic Name English
BENZAMIDE, 4-(CHLOROMETHYL)-N-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
280-902-0
Created by admin on Sat Dec 16 12:28:14 GMT 2023 , Edited by admin on Sat Dec 16 12:28:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID50232672
Created by admin on Sat Dec 16 12:28:14 GMT 2023 , Edited by admin on Sat Dec 16 12:28:14 GMT 2023
PRIMARY
CAS
83803-82-1
Created by admin on Sat Dec 16 12:28:14 GMT 2023 , Edited by admin on Sat Dec 16 12:28:14 GMT 2023
PRIMARY
FDA UNII
A235PDE257
Created by admin on Sat Dec 16 12:28:14 GMT 2023 , Edited by admin on Sat Dec 16 12:28:14 GMT 2023
PRIMARY
PUBCHEM
3019340
Created by admin on Sat Dec 16 12:28:14 GMT 2023 , Edited by admin on Sat Dec 16 12:28:14 GMT 2023
PRIMARY