[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate

C25H22ClNO5 — CID 2178786

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
SMILESCOc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClNO5/c1-31-19-13-11-18(12-14-19)24(29)16-32-25(30)22(27-21-10-6-5-9-20(21)26)15-23(28)17-7-3-2-4-8-17/h2-14,22,27H,15-16H2,1H3/t22-/m1/s1
InChIKeyBSDRGLHFBLHURC-JOCHJYFZSA-N
MW451.91 g/mol
LogP4.83
Rot. Bonds10

About [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate

[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate (PubChem CID 2178786) has the molecular formula C25H22ClNO5 and a molecular weight of 451.91 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
PubChem CID2178786
Molecular FormulaC25H22ClNO5
Molecular Weight451.91 g/mol
Exact Mass451.12
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
SMILESCOc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClNO5/c1-31-19-13-11-18(12-14-19)24(29)16-32-25(30)22(27-21-10-6-5-9-20(21)26)15-23(28)17-7-3-2-4-8-17/h2-14,22,27H,15-16H2,1H3/t22-/m1/s1
InChIKeyBSDRGLHFBLHURC-JOCHJYFZSA-N
XLogP4.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate
CID 2178787
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoate
CID 41039159
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
CID 3904587
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-chloroanilino)-4-oxo-4-phenylbutanoate
CID 41039141
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-anilino-4-oxo-4-phenylbutanoate
CID 41039145
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 7371261
2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
CID 11760150
(2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid
CID 1088578
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(3,4-dimethylanilino)-4-oxo-4-phenylbutanoate
CID 41039140
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
(2S)-2-(3-chloro-2-methylanilino)-4-oxo-4-phenylbutanoate
CID 6953456

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate (CID 2178786) is [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
The InChIKey is BSDRGLHFBLHURC-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22ClNO5/c1-31-19-13-11-18(12-14-19)24(29)16-32-25(30)22(27-21-10-6-5-9-20(21)26)15-23(28)17-7-3-2-4-8-17/h2-14,22,27H,15-16H2,1H3/t22-/m1/s1.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate has a molecular weight of 451.91 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-chloroanilino)-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 2178786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).