2-(1-{[(S)-Cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid

HCID 57733250

Basic information

Standard SMILES
CC(=O)C(C(=O)N[C@H](c1cccc(F)c1)C1CC1)c1cccc(F)c1C(=O)O
InChIKey
CTWRDLZOKKERJR-NNBQYGFHSA-N
Molecular formula
C21H19F2NO4
Average molar mass
387.4 g/mol

Names & identifiers

Preferred name
2-(1-{[(S)-Cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid
IUPAC
2-[1-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]amino]-1,3-dioxobutan-2-yl]-6-fluorobenzoic acid

Names & synonyms

SCHEMBL1364966CTWRDLZOKKERJR-NNBQYGFHSA-N2-(1-{[(S)-Cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid2-(1-{[(S)-Cyclopropyl-(3-fluoro-phenyl)-methyl]carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid

Database identifiers

PubChem CID
57733250

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
83.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

Related reactions

4 records

Compound notes

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