3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid

C15H12FNO3 — CID 60893305

IUPAC3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO3/c16-13-6-2-4-11(8-13)14(18)17-9-10-3-1-5-12(7-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyMMVLTZOCIJWBMQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.45
Rot. Bonds4

About 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid

3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid (PubChem CID 60893305) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
PubChem CID60893305
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO3/c16-13-6-2-4-11(8-13)14(18)17-9-10-3-1-5-12(7-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyMMVLTZOCIJWBMQ-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
CID 107013440
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-[[(4-bromo-2-fluorobenzoyl)amino]methyl]benzoic acid
CID 60894951
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
3-fluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787057
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
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3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid (CID 60893305) is 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid?
The InChIKey is MMVLTZOCIJWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-6-2-4-11(8-13)14(18)17-9-10-3-1-5-12(7-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid?
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 60893305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).