[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate

C28H21Cl2NO3 — CID 2339067

IUPAC[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C28H21Cl2NO3/c29-23-16-24(30)18-25(17-23)31-28(33)27(22-9-5-2-6-10-22)34-26(32)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,16-18,27H,15H2,(H,31,33)/t27-/m0/s1
InChIKeyVCRRLLAUEFOYSP-MHZLTWQESA-N
MW490.39 g/mol
LogP7.13
Rot. Bonds7

About [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2339067) has the molecular formula C28H21Cl2NO3 and a molecular weight of 490.39 g/mol. Its IUPAC name is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
PubChem CID2339067
Molecular FormulaC28H21Cl2NO3
Molecular Weight490.39 g/mol
Exact Mass489.09
IUPAC Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C28H21Cl2NO3/c29-23-16-24(30)18-25(17-23)31-28(33)27(22-9-5-2-6-10-22)34-26(32)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,16-18,27H,15H2,(H,31,33)/t27-/m0/s1
InChIKeyVCRRLLAUEFOYSP-MHZLTWQESA-N
XLogP7.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[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-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 2092525
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 7759895
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705021
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[(1R)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 4-tert-butylbenzoate
CID 2467611
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate (CID 2339067) is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate is O=C(Cc1ccc(-c2ccccc2)cc1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is VCRRLLAUEFOYSP-MHZLTWQESA-N. The full InChI is InChI=1S/C28H21Cl2NO3/c29-23-16-24(30)18-25(17-23)31-28(33)27(22-9-5-2-6-10-22)34-26(32)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,16-18,27H,15H2,(H,31,33)/t27-/m0/s1.
What are the key properties of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 490.39 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2339067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).