2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid

C14H10BrClN2O3 — CID 115297196

IUPAC2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
SMILESNc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C14H10BrClN2O3/c15-11-4-2-8(17)6-10(11)13(19)18-12-5-7(16)1-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyRFDZRAYZALRXNV-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.64
Rot. Bonds3

About 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid

2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid (PubChem CID 115297196) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
PubChem CID115297196
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
SMILESNc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C14H10BrClN2O3/c15-11-4-2-8(17)6-10(11)13(19)18-12-5-7(16)1-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyRFDZRAYZALRXNV-UHFFFAOYSA-N
XLogP3.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.64
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-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid (CID 115297196) is 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid is Nc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid?
The InChIKey is RFDZRAYZALRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-11-4-2-8(17)6-10(11)13(19)18-12-5-7(16)1-3-9(12)14(20)21/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid?
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid has a molecular weight of 369.60 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 115297196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).