[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate

C24H19Cl2NO4 — CID 23770659

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C)c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H19Cl2NO4/c1-14-7-8-15(2)19(11-14)22(28)13-31-24(30)18-5-3-4-6-21(18)27-23(29)17-10-9-16(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,29)
InChIKeyZUYQVEOHOMVELZ-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.90
Rot. Bonds6

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate (PubChem CID 23770659) has the molecular formula C24H19Cl2NO4 and a molecular weight of 456.33 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
PubChem CID23770659
Molecular FormulaC24H19Cl2NO4
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C)c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H19Cl2NO4/c1-14-7-8-15(2)19(11-14)22(28)13-31-24(30)18-5-3-4-6-21(18)27-23(29)17-10-9-16(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,29)
InChIKeyZUYQVEOHOMVELZ-UHFFFAOYSA-N
XLogP5.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519875
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862809
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate (CID 23770659) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate is Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate?
The InChIKey is ZUYQVEOHOMVELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO4/c1-14-7-8-15(2)19(11-14)22(28)13-31-24(30)18-5-3-4-6-21(18)27-23(29)17-10-9-16(25)12-20(17)26/h3-12H,13H2,1-2H3,(H,27,29).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate has a molecular weight of 456.33 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 23770659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).