4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid

C14H10F2N2O3 — CID 63189025

IUPAC4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(14(20)21)6-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyOPYKRXQUORGAFS-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.50
Rot. Bonds3

About 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid

4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 63189025) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID63189025
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
SMILESNc1ccc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(14(20)21)6-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyOPYKRXQUORGAFS-UHFFFAOYSA-N
XLogP2.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.50
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-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid (CID 63189025) is 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid is Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1F.
What is the InChIKey of 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is OPYKRXQUORGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(14(20)21)6-10(12)16/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid has a molecular weight of 292.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63189025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).