4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid

C14H11FN2O3 — CID 63116302

IUPAC4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyPLNRNBZMGDWFES-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.36
Rot. Bonds3

About 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid

4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid (PubChem CID 63116302) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
PubChem CID63116302
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
InChIKeyPLNRNBZMGDWFES-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

4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
4-amino-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727925
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 63116313
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
4-amino-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63116138
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid (CID 63116302) is 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid?
The InChIKey is PLNRNBZMGDWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-9-3-1-8(2-4-9)13(18)17-12-7-10(16)5-6-11(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20).
What are the key properties of 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid?
4-amino-2-[(4-fluorobenzoyl)amino]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 4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63116302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).