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

C14H8BrCl2NO3 — CID 107937708

IUPAC3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-9-3-8(4-10(16)6-9)13(19)18-12-5-7(14(20)21)1-2-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyZWOCMPOLSUVJDQ-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

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

3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid (PubChem CID 107937708) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
PubChem CID107937708
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-9-3-8(4-10(16)6-9)13(19)18-12-5-7(14(20)21)1-2-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyZWOCMPOLSUVJDQ-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid (CID 107937708) is 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid?
The InChIKey is ZWOCMPOLSUVJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-9-3-8(4-10(16)6-9)13(19)18-12-5-7(14(20)21)1-2-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid?
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid has a molecular weight of 389.03 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 107937708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).