5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid

C14H10F2N2O3 — CID 43712158

IUPAC5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10F2N2O3/c15-7-1-4-12(17)10(5-7)13(19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyVBHBZLOCAMXLDC-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.50
Rot. Bonds3

About 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid

5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid (PubChem CID 43712158) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
PubChem CID43712158
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H10F2N2O3/c15-7-1-4-12(17)10(5-7)13(19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyVBHBZLOCAMXLDC-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

2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 110451935
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid (CID 43712158) is 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid is Nc1ccc(F)cc1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid?
The InChIKey is VBHBZLOCAMXLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-7-1-4-12(17)10(5-7)13(19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid?
5-[(2-amino-5-fluorobenzoyl)amino]-2-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 5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 43712158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).