4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid

C14H10BrFN2O3 — CID 63116124

IUPAC4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H10BrFN2O3/c15-7-1-4-11(16)10(5-7)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyUINXNJMAFCCGNK-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.12
Rot. Bonds3

About 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid

4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid (PubChem CID 63116124) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
PubChem CID63116124
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H10BrFN2O3/c15-7-1-4-11(16)10(5-7)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyUINXNJMAFCCGNK-UHFFFAOYSA-N
XLogP3.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.12
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-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid (CID 63116124) is 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid?
The InChIKey is UINXNJMAFCCGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c15-7-1-4-11(16)10(5-7)13(19)18-12-6-8(17)2-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid?
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid has a molecular weight of 353.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63116124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).