2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid

C15H11Cl2NO3 — CID 4287647

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H11Cl2NO3/c1-8-2-5-13(11(6-8)15(20)21)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyBXQIAYMIOWYCGX-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.25
Rot. Bonds3

About 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid (PubChem CID 4287647) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
PubChem CID4287647
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H11Cl2NO3/c1-8-2-5-13(11(6-8)15(20)21)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyBXQIAYMIOWYCGX-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

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid (CID 4287647) is 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid?
The InChIKey is BXQIAYMIOWYCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-8-2-5-13(11(6-8)15(20)21)18-14(19)10-4-3-9(16)7-12(10)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-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 2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 4287647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).