2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid

C14H11FN2O3 — CID 170549186

IUPAC2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
SMILESNc1cc(C(=O)Nc2ccccc2F)ccc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c15-10-3-1-2-4-12(10)17-13(18)8-5-6-9(14(19)20)11(16)7-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyCUFVUTDTOBEYGN-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid

2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid (PubChem CID 170549186) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
PubChem CID170549186
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid
SMILESNc1cc(C(=O)Nc2ccccc2F)ccc1C(=O)O
InChIInChI=1S/C14H11FN2O3/c15-10-3-1-2-4-12(10)17-13(18)8-5-6-9(14(19)20)11(16)7-8/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyCUFVUTDTOBEYGN-UHFFFAOYSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-fluoro-N-(2-fluorophenyl)-3-sulfamoylbenzamide
CID 38765202
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid (CID 170549186) is 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid is Nc1cc(C(=O)Nc2ccccc2F)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The InChIKey is CUFVUTDTOBEYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-10-3-1-2-4-12(10)17-13(18)8-5-6-9(14(19)20)11(16)7-8/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid?
2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-fluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 170549186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).