5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid

C15H13BrN2O3 — CID 81111004

IUPAC5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H13BrN2O3/c1-8-2-4-12(16)10(6-8)14(19)18-13-5-3-9(17)7-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIBPKQMXOWGLUQB-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.29
Rot. Bonds3

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

5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid (PubChem CID 81111004) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
PubChem CID81111004
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H13BrN2O3/c1-8-2-4-12(16)10(6-8)14(19)18-13-5-3-9(17)7-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyIBPKQMXOWGLUQB-UHFFFAOYSA-N
XLogP3.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.29
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

5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
CID 115297143
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971032
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid (CID 81111004) is 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid is Cc1ccc(Br)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid?
The InChIKey is IBPKQMXOWGLUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-8-2-4-12(16)10(6-8)14(19)18-13-5-3-9(17)7-11(13)15(20)21/h2-7H,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid?
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid has a molecular weight of 349.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 81111004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).