(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide

C16H10Cl2N2O2 — CID 98450152

IUPAC(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-13-7-6-10(8-14(13)18)15(21)12(9-19)16(22)20-11-4-2-1-3-5-11/h1-8,12H,(H,20,22)/t12-/m1/s1
InChIKeyCAUKEZHFXIIDNY-GFCCVEGCSA-N
MW333.17 g/mol
LogP3.95
Rot. Bonds4

About (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide

(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide (PubChem CID 98450152) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
PubChem CID98450152
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2/c17-13-7-6-10(8-14(13)18)15(21)12(9-19)16(22)20-11-4-2-1-3-5-11/h1-8,12H,(H,20,22)/t12-/m1/s1
InChIKeyCAUKEZHFXIIDNY-GFCCVEGCSA-N
XLogP3.95
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.95
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

2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15181235
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
3-(4-chlorophenyl)-2-cyano-N-(4-fluorophenyl)-3-oxopropanamide
CID 7100268
(2S)-2-(3,4-dichlorobenzoyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 98431489
(2S)-3-(3-chloro-4-methylphenyl)-2-cyano-3-oxo-N-prop-2-enylpropanamide
CID 98142101
(2R)-3-(3-chloro-4-methylphenyl)-2-cyano-3-oxo-N-prop-2-enylpropanamide
CID 98142100
3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-N-(3-methylphenyl)-3-oxopropanamide
CID 47052906
3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-N-(4-methylphenyl)-3-oxopropanamide
CID 47052896
(E)-5-(3-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
CID 56796628
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
CID 98548775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide?
The IUPAC name of (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide (CID 98450152) is (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide?
The canonical SMILES for (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide is N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide?
The InChIKey is CAUKEZHFXIIDNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-13-7-6-10(8-14(13)18)15(21)12(9-19)16(22)20-11-4-2-1-3-5-11/h1-8,12H,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide?
(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide has a molecular weight of 333.17 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 98450152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).