[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate

C23H17Cl2NO4 — CID 1216566

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H17Cl2NO4/c1-14-5-7-15(8-6-14)21(27)13-30-23(29)16-3-2-4-18(11-16)26-22(28)19-10-9-17(24)12-20(19)25/h2-12H,13H2,1H3,(H,26,28)
InChIKeyBNKYIZINMJHOGB-UHFFFAOYSA-N
MW442.30 g/mol
LogP5.59
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate

[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate (PubChem CID 1216566) has the molecular formula C23H17Cl2NO4 and a molecular weight of 442.30 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate
PubChem CID1216566
Molecular FormulaC23H17Cl2NO4
Molecular Weight442.30 g/mol
Exact Mass441.05
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C23H17Cl2NO4/c1-14-5-7-15(8-6-14)21(27)13-30-23(29)16-3-2-4-18(11-16)26-22(28)19-10-9-17(24)12-20(19)25/h2-12H,13H2,1H3,(H,26,28)
InChIKeyBNKYIZINMJHOGB-UHFFFAOYSA-N
XLogP5.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate with MolForge

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Related Compounds

[2-Oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate
CID 1730869
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
2-(4-Chlorophenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 1216563
2-(4-Methylphenyl)-2-oxoethyl 3-(acetylamino)-4-methylbenzoate
CID 887497
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620
2-Oxo-2-phenylethyl 4-methyl-3-(propionylamino)benzoate
CID 902715
2-(2,4-Dichlorophenyl)-2-oxoethyl 3-(acetylamino)-4-methylbenzoate
CID 1218282
2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methyl-3-(propionylamino)benzoate
CID 1218286
2-(2-Chlorophenyl)-2-oxoethyl 4-methyl-3-(propionylamino)benzoate
CID 1218287
Propyl 4-chloro-3-[(4-phenylbenzoyl)amino]benzoate
CID 1732058
[2-Oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloroanilino)-4-oxobutanoate
CID 1738267
Phenacyl 3-acetamido-4-methylbenzoate
CID 2067824

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate (CID 1216566) is [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate is Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The InChIKey is BNKYIZINMJHOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO4/c1-14-5-7-15(8-6-14)21(27)13-30-23(29)16-3-2-4-18(11-16)26-22(28)19-10-9-17(24)12-20(19)25/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate?
[2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate has a molecular weight of 442.30 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 1216566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).