5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid

C15H11Cl2NO3 — CID 63653152

IUPAC5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C15H11Cl2NO3/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)
InChIKeyWADIKSGAOVRLOR-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.25
Rot. Bonds3

About 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid

5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 63653152) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
PubChem CID63653152
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C(=O)O
InChIInChI=1S/C15H11Cl2NO3/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)
InChIKeyWADIKSGAOVRLOR-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid (CID 63653152) is 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C(=O)O.
What is the InChIKey of 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is WADIKSGAOVRLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/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-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid?
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 324.16 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).