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

C14H8BrCl2NO3 — CID 107937795

IUPAC5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-8-3-7(4-9(16)5-8)13(19)18-10-1-2-12(17)11(6-10)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyRJKXKABRJIXVPW-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

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

5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid (PubChem CID 107937795) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
PubChem CID107937795
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-8-3-7(4-9(16)5-8)13(19)18-10-1-2-12(17)11(6-10)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyRJKXKABRJIXVPW-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-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid (CID 107937795) is 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid is O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid?
The InChIKey is RJKXKABRJIXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-8-3-7(4-9(16)5-8)13(19)18-10-1-2-12(17)11(6-10)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid?
5-[(3-bromo-5-chlorobenzoyl)amino]-2-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 5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 107937795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).