[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate

C24H20ClNO4 — CID 2926382

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-16-7-9-17(10-8-16)22(28)23(18-5-3-2-4-6-18)30-21(27)15-26-24(29)19-11-13-20(25)14-12-19/h2-14,23H,15H2,1H3,(H,26,29)
InChIKeyCLFVTBYKWUDCDW-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.55
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2926382) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2926382
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H20ClNO4/c1-16-7-9-17(10-8-16)22(28)23(18-5-3-2-4-6-18)30-21(27)15-26-24(29)19-11-13-20(25)14-12-19/h2-14,23H,15H2,1H3,(H,26,29)
InChIKeyCLFVTBYKWUDCDW-UHFFFAOYSA-N
XLogP4.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 2926382) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate is Cc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is CLFVTBYKWUDCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-16-7-9-17(10-8-16)22(28)23(18-5-3-2-4-6-18)30-21(27)15-26-24(29)19-11-13-20(25)14-12-19/h2-14,23H,15H2,1H3,(H,26,29).
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 421.88 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2926382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).