5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid

C15H11BrClNO3 — CID 63654704

IUPAC5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c1-8-2-4-10(7-11(8)15(20)21)18-14(19)12-6-9(16)3-5-13(12)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHFMWXGBTVOZELH-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.36
Rot. Bonds3

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

5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 63654704) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
PubChem CID63654704
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c1-8-2-4-10(7-11(8)15(20)21)18-14(19)12-6-9(16)3-5-13(12)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHFMWXGBTVOZELH-UHFFFAOYSA-N
XLogP4.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
CID 28667958
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 100537160

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid (CID 63654704) is 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1C(=O)O.
What is the InChIKey of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is HFMWXGBTVOZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-8-2-4-10(7-11(8)15(20)21)18-14(19)12-6-9(16)3-5-13(12)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid?
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 368.61 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63654704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).