(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide

C18H15ClN2O2 — CID 98450225

IUPAC(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
SMILESN#C[C@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c19-15-8-4-5-9-16(15)21-18(23)14(12-20)17(22)11-10-13-6-2-1-3-7-13/h1-9,14H,10-11H2,(H,21,23)/t14-/m1/s1
InChIKeyMCGGRRSFPLTSTO-CQSZACIVSA-N
MW326.78 g/mol
LogP3.62
Rot. Bonds6

About (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide

(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide (PubChem CID 98450225) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
PubChem CID98450225
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
SMILESN#C[C@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c19-15-8-4-5-9-16(15)21-18(23)14(12-20)17(22)11-10-13-6-2-1-3-7-13/h1-9,14H,10-11H2,(H,21,23)/t14-/m1/s1
InChIKeyMCGGRRSFPLTSTO-CQSZACIVSA-N
XLogP3.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-chlorophenyl)-4-(4-chlorophenyl)-2-cyano-3-oxobutanamide
CID 96570954
(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide
CID 94812739
(2S)-N-(2-chlorophenyl)-2-cyano-4-(4-methylphenyl)-3-oxobutanamide
CID 96570962
(2R)-N-(2-chlorophenyl)-2-cyano-4-(2-methoxyphenyl)-3-oxobutanamide
CID 98450255
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
CID 98450230
(2R)-3-oxo-5-phenyl-2-(pyrrolidine-1-carbonyl)pentanenitrile
CID 98449673
N-(2-chlorophenyl)-2-cyano-3-(5-ethyl-4-methylthiophen-2-yl)-3-oxopropanamide
CID 51119464
1-(2-chlorophenyl)-3-(1-cyanopropyl)urea
CID 61124405
(2S)-2-cyano-5-(4-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpentanamide
CID 98506736
(2S)-5-(2-chlorophenyl)-3-oxo-2-(pyrrolidine-1-carbonyl)pentanenitrile
CID 98449736
N-(2-chloro-4-phenylphenyl)-2-cyano-3-oxobutanamide
CID 91896064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide (CID 98450225) is (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide is N#C[C@H](C(=O)CCc1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide?
The InChIKey is MCGGRRSFPLTSTO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-15-8-4-5-9-16(15)21-18(23)14(12-20)17(22)11-10-13-6-2-1-3-7-13/h1-9,14H,10-11H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide?
(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide has a molecular weight of 326.78 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide is sourced from PubChem (CID 98450225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).