5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid

C16H14ClNO3 — CID 82877012

IUPAC5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2C)cc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyIYTNKELQWVJSIQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.91
Rot. Bonds3

About 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid

5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid (PubChem CID 82877012) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
PubChem CID82877012
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2C)cc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyIYTNKELQWVJSIQ-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid (CID 82877012) is 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2cc(Cl)ccc2C)cc1C(=O)O.
What is the InChIKey of 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is IYTNKELQWVJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 82877012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).