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Details

Stereochemistry ACHIRAL
Molecular Formula C19H14ClF3N4O
Molecular Weight 406.789
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEACETAMIDE, 4-((2-(3-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)-

SMILES

NC(=O)CC1=CC=C(NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC(Cl)=C3)C=C1

InChI

InChIKey=KRRGWHSEDYQKDQ-UHFFFAOYSA-N
InChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C19H14ClF3N4O
Molecular Weight 406.789
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 15:00:21 UTC 2023
Edited
by admin
on Sat Dec 16 15:00:21 UTC 2023
Record UNII
3XKI17C2E2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEACETAMIDE, 4-((2-(3-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)-
Systematic Name English
2-(4-((2-(3-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL)AMINO)PHENYL)ACETAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 631618
Created by admin on Sat Dec 16 15:00:22 UTC 2023 , Edited by admin on Sat Dec 16 15:00:22 UTC 2023
Code System Code Type Description
CAS
1606975-12-5
Created by admin on Sat Dec 16 15:00:22 UTC 2023 , Edited by admin on Sat Dec 16 15:00:22 UTC 2023
PRIMARY
FDA UNII
3XKI17C2E2
Created by admin on Sat Dec 16 15:00:22 UTC 2023 , Edited by admin on Sat Dec 16 15:00:22 UTC 2023
PRIMARY
PUBCHEM
77461017
Created by admin on Sat Dec 16 15:00:22 UTC 2023 , Edited by admin on Sat Dec 16 15:00:22 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR