5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid

C14H8Br2ClNO3 — CID 107997828

IUPAC5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-8-2-4-12(9(6-8)14(20)21)18-13(19)7-1-3-11(17)10(16)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyIDTHJKZTVTYFQS-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.82
Rot. Bonds3

About 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid

5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid (PubChem CID 107997828) has the molecular formula C14H8Br2ClNO3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
PubChem CID107997828
Molecular FormulaC14H8Br2ClNO3
Molecular Weight433.48 g/mol
Exact Mass430.86
IUPAC Name5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-8-2-4-12(9(6-8)14(20)21)18-13(19)7-1-3-11(17)10(16)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyIDTHJKZTVTYFQS-UHFFFAOYSA-N
XLogP4.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid (CID 107997828) is 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is IDTHJKZTVTYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClNO3/c15-8-2-4-12(9(6-8)14(20)21)18-13(19)7-1-3-11(17)10(16)5-7/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid?
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid has a molecular weight of 433.48 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107997828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).