3-[(2,3-difluorophenyl)carbamoyl]benzoic acid

C14H9F2NO3 — CID 61076302

IUPAC3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H9F2NO3/c15-10-5-2-6-11(12(10)16)17-13(18)8-3-1-4-9(7-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyHJNJLOUCOJUUEF-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.92
Rot. Bonds3

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

3-[(2,3-difluorophenyl)carbamoyl]benzoic acid (PubChem CID 61076302) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
PubChem CID61076302
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H9F2NO3/c15-10-5-2-6-11(12(10)16)17-13(18)8-3-1-4-9(7-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyHJNJLOUCOJUUEF-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-difluorophenyl)benzamide
CID 139202270
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
2-amino-N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 62161331
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
2-benzamido-6-fluorobenzoic acid
CID 13389963
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid (CID 61076302) is 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid?
The InChIKey is HJNJLOUCOJUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-10-5-2-6-11(12(10)16)17-13(18)8-3-1-4-9(7-8)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid?
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid has a molecular weight of 277.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 61076302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).