4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid

C14H8Br2ClNO3 — CID 114367860

IUPAC4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-8-2-3-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-4-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyURWJTRBMGFPQMB-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.82
Rot. Bonds3

About 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid

4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid (PubChem CID 114367860) has the molecular formula C14H8Br2ClNO3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
PubChem CID114367860
Molecular FormulaC14H8Br2ClNO3
Molecular Weight433.48 g/mol
Exact Mass430.86
IUPAC Name4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H8Br2ClNO3/c15-8-2-3-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-4-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyURWJTRBMGFPQMB-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

N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid (CID 114367860) is 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid?
The InChIKey is URWJTRBMGFPQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClNO3/c15-8-2-3-10(16)9(6-8)13(19)18-12-5-7(14(20)21)1-4-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid?
4-chloro-3-[(2,5-dibromobenzoyl)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 4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 114367860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).