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

C14H8Br2ClNO3 — CID 107938398

IUPAC3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H8Br2ClNO3/c15-7-4-5-8(10(16)6-7)13(19)18-12-9(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyVISHRWAXTQQQGO-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.82
Rot. Bonds3

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

3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid (PubChem CID 107938398) has the molecular formula C14H8Br2ClNO3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
PubChem CID107938398
Molecular FormulaC14H8Br2ClNO3
Molecular Weight433.48 g/mol
Exact Mass430.86
IUPAC Name3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H8Br2ClNO3/c15-7-4-5-8(10(16)6-7)13(19)18-12-9(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyVISHRWAXTQQQGO-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-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2-amino-6-chlorophenyl)-2-bromo-4-chlorobenzamide
CID 107986320
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2,4-dibromobenzoic acid
CID 11896
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid (CID 107938398) is 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid is O=C(Nc1c(Cl)cccc1C(=O)O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid?
The InChIKey is VISHRWAXTQQQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClNO3/c15-7-4-5-8(10(16)6-7)13(19)18-12-9(14(20)21)2-1-3-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid?
3-chloro-2-[(2,4-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 3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).