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

C24H20ClNO4 — CID 126184580

IUPAC[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
SMILESO=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-19-13-11-18(12-14-19)24(23(29)17-7-3-1-4-8-17)30-22(28)16-15-21(27)26-20-9-5-2-6-10-20/h1-14,24H,15-16H2,(H,26,27)/t24-/m1/s1
InChIKeyMASNBWJKNQUKQS-XMMPIXPASA-N
MW421.88 g/mol
LogP5.23
Rot. Bonds8

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

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate (PubChem CID 126184580) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
PubChem CID126184580
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
SMILESO=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-19-13-11-18(12-14-19)24(23(29)17-7-3-1-4-8-17)30-22(28)16-15-21(27)26-20-9-5-2-6-10-20/h1-14,24H,15-16H2,(H,26,27)/t24-/m1/s1
InChIKeyMASNBWJKNQUKQS-XMMPIXPASA-N
XLogP5.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[(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-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-(5-chloro-2-methylanilino)-4-oxobutanoate
CID 126183364
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate
CID 126182659
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[(1R)-2-oxo-1,2-diphenylethyl] 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
CID 126185459
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 126190062
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate (CID 126184580) is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate is O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate?
The InChIKey is MASNBWJKNQUKQS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-19-13-11-18(12-14-19)24(23(29)17-7-3-1-4-8-17)30-22(28)16-15-21(27)26-20-9-5-2-6-10-20/h1-14,24H,15-16H2,(H,26,27)/t24-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate?
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate has a molecular weight of 421.88 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate is sourced from PubChem (CID 126184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).