[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate

C23H20ClNO4 — CID 118256663

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO4/c1-28-20-13-11-19(12-14-20)25-23(27)22(17-5-3-2-4-6-17)29-21(26)15-16-7-9-18(24)10-8-16/h2-14,22H,15H2,1H3,(H,25,27)
InChIKeyQKYBMTADHYYBQX-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.81
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate (PubChem CID 118256663) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
PubChem CID118256663
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
SMILESCOc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO4/c1-28-20-13-11-19(12-14-20)25-23(27)22(17-5-3-2-4-6-17)29-21(26)15-16-7-9-18(24)10-8-16/h2-14,22H,15H2,1H3,(H,25,27)
InChIKeyQKYBMTADHYYBQX-UHFFFAOYSA-N
XLogP4.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 2339067
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 2092525
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705021
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42922369

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate (CID 118256663) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate is COc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is QKYBMTADHYYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-28-20-13-11-19(12-14-20)25-23(27)22(17-5-3-2-4-6-17)29-21(26)15-16-7-9-18(24)10-8-16/h2-14,22H,15H2,1H3,(H,25,27).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 409.87 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 118256663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).