3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid

C15H11F2NO3 — CID 62229810

IUPAC3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO3/c16-12-5-4-11(13(17)7-12)8-18-14(19)9-2-1-3-10(6-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyWZKLGZDHNPNNTI-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.59
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid

3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 62229810) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
PubChem CID62229810
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)NCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2NO3/c16-12-5-4-11(13(17)7-12)8-18-14(19)9-2-1-3-10(6-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyWZKLGZDHNPNNTI-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627623
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid (CID 62229810) is 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)NCc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is WZKLGZDHNPNNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-12-5-4-11(13(17)7-12)8-18-14(19)9-2-1-3-10(6-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid?
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid has a molecular weight of 291.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 62229810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).