[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate

C25H22ClNO4 — CID 3675096

IUPAC[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)CCC(=O)OC(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22ClNO4/c1-17-7-13-21(14-8-17)27-22(28)15-16-23(29)31-25(19-9-11-20(26)12-10-19)24(30)18-5-3-2-4-6-18/h2-14,25H,15-16H2,1H3,(H,27,28)
InChIKeyLUTVREOTUYVIKD-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.53
Rot. Bonds8

About [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate (PubChem CID 3675096) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
PubChem CID3675096
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)CCC(=O)OC(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22ClNO4/c1-17-7-13-21(14-8-17)27-22(28)15-16-23(29)31-25(19-9-11-20(26)12-10-19)24(30)18-5-3-2-4-6-18/h2-14,25H,15-16H2,1H3,(H,27,28)
InChIKeyLUTVREOTUYVIKD-UHFFFAOYSA-N
XLogP5.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate with MolForge

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 126190062
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-[[4-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 40736197
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate
CID 126182659
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-(5-chloro-2-methylanilino)-4-oxobutanoate
CID 126183364
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
CID 4205916

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate?
The IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate (CID 3675096) is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate?
The canonical SMILES for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate is Cc1ccc(NC(=O)CCC(=O)OC(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate?
The InChIKey is LUTVREOTUYVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-17-7-13-21(14-8-17)27-22(28)15-16-23(29)31-25(19-9-11-20(26)12-10-19)24(30)18-5-3-2-4-6-18/h2-14,25H,15-16H2,1H3,(H,27,28).
What are the key properties of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate?
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate has a molecular weight of 435.91 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 3675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).