N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamide

HCID 59778447

Completing data — usually done within a minute

Basic information

CAS
171569-37-2
Standard SMILES
CC(C)(CO)C(=O)NCc1ccccc1Cl
InChIKey
TWJXCDFCKPEPHD-UHFFFAOYSA-N
Molecular formula
C12H16ClNO2
Average molar mass
241.71 g/mol
Monoisotopic mass
241.08695643

Names & identifiers

Preferred name
N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamide
IUPAC
N-[(2-chlorophenyl)methyl]-3-hydroxy-2,2-dimethylpropanamide

Names & synonyms

171569-37-2N-(2-chlorobenzyl)-3-hydroxy-2,2-dimethylpropanamideClomazone metabolite FMC 65317N-[(2-chlorophenyl)methyl]-3-hydroxy-2,2-dimethylpropanamideN-[(2-Chlorobenzyl)]-3-Hydroxy-2,2-dimethylpropanamideSCHEMBL4994370TWJXCDFCKPEPHD-UHFFFAOYSA-NDTXSID501348452A1-14527

Database identifiers

CAS
171569-37-2
PubChem CID
59778447
DTXSID
DTXSID501348452
Nikkaji
J719.370J

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Chemistry & industry

Suppliers3 total

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

Related reactions

7 records

Compound notes

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