2-({[(S)-cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-methyl)-6-fluoro-benzoic acid

HCID 57733412
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Basic information

Standard SMILES
O=C(Cc1cccc(F)c1C(=O)O)N[C@H](c1cccc(F)c1)C1CC1
InChIKey
HEYBYBHOMQXCJB-SFHVURJKSA-N
Molecular formula
C19H17F2NO3
Average molar mass
345.3 g/mol

Names & identifiers

Preferred name
2-({[(S)-cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-methyl)-6-fluoro-benzoic acid
IUPAC
2-[2-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]amino]-2-oxoethyl]-6-fluorobenzoic acid

Names & synonyms

SCHEMBL1366886HEYBYBHOMQXCJB-SFHVURJKSA-N2-({[(S)-cyclopropyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-methyl)-6-fluoro-benzoic acid

Database identifiers

PubChem CID
57733412

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

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