2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid

C15H11BrClNO3 — CID 107986716

IUPAC2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c1-8-3-2-4-12(13(8)15(20)21)18-14(19)10-6-5-9(17)7-11(10)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyZXTJIDOIDNIRLL-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.36
Rot. Bonds3

About 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid

2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid (PubChem CID 107986716) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
PubChem CID107986716
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c1-8-3-2-4-12(13(8)15(20)21)18-14(19)10-6-5-9(17)7-11(10)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyZXTJIDOIDNIRLL-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

2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
CID 104669683
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-bromo-4-chloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86813420
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid (CID 107986716) is 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)c2ccc(Cl)cc2Br)c1C(=O)O.
What is the InChIKey of 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid?
The InChIKey is ZXTJIDOIDNIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-8-3-2-4-12(13(8)15(20)21)18-14(19)10-6-5-9(17)7-11(10)16/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid?
2-[(2-bromo-4-chlorobenzoyl)amino]-6-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 2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 107986716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).