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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H17F2NO2
Molecular Weight 257.2764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(3,5-Difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

SMILES

CCC(C)(C)C(=O)N(O)CC1=CC(F)=CC(F)=C1

InChI

InChIKey=SQPMQJPGOUAGHC-UHFFFAOYSA-N
InChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H17F2NO2
Molecular Weight 257.2764
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 Wed Apr 02 08:13:26 GMT 2025
Edited
by admin
on Wed Apr 02 08:13:26 GMT 2025
Record UNII
8QQK385682
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[(3,5-Difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
Systematic Name English
Butanamide, N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethyl-
Preferred Name English
Code System Code Type Description
FDA UNII
8QQK385682
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
PUBCHEM
151890382
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
CAS
2428422-17-5
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
ALLOSTERIC
IC50
BINDER->LIGAND
BINDING
Related Record Type Details
ACTIVE MOIETY