3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid

C15H12FNO4 — CID 107013440

IUPAC3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ccc(F)cc2O)c1
InChIInChI=1S/C15H12FNO4/c16-11-4-5-12(13(18)7-11)14(19)17-8-9-2-1-3-10(6-9)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeySEADYMUVMKWOKE-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.16
Rot. Bonds4

About 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid

3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid (PubChem CID 107013440) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
PubChem CID107013440
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ccc(F)cc2O)c1
InChIInChI=1S/C15H12FNO4/c16-11-4-5-12(13(18)7-11)14(19)17-8-9-2-1-3-10(6-9)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeySEADYMUVMKWOKE-UHFFFAOYSA-N
XLogP2.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
CID 82808720
3-[[(4-bromo-2-fluorobenzoyl)amino]methyl]benzoic acid
CID 60894951
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
CID 80722615
3-[[[3-(carboxymethyl)-2,5-dihydroxybenzoyl]amino]methyl]benzoic acid
CID 156760560

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid (CID 107013440) is 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2ccc(F)cc2O)c1.
What is the InChIKey of 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid?
The InChIKey is SEADYMUVMKWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-11-4-5-12(13(18)7-11)14(19)17-8-9-2-1-3-10(6-9)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid?
3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 107013440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).