(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide

C18H13ClN2O2 — CID 98548775

IUPAC(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
SMILESN#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H13ClN2O2/c19-14-9-6-13(7-10-14)8-11-17(22)16(12-20)18(23)21-15-4-2-1-3-5-15/h1-11,16H,(H,21,23)/b11-8-/t16-/m0/s1
InChIKeyQINXCVRIDQGSLI-CLOOOTJHSA-N
MW324.77 g/mol
LogP3.70
Rot. Bonds5

About (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide

(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide (PubChem CID 98548775) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide.

Molecular Properties

Compound Name(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
PubChem CID98548775
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
SMILESN#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H13ClN2O2/c19-14-9-6-13(7-10-14)8-11-17(22)16(12-20)18(23)21-15-4-2-1-3-5-15/h1-11,16H,(H,21,23)/b11-8-/t16-/m0/s1
InChIKeyQINXCVRIDQGSLI-CLOOOTJHSA-N
XLogP3.70
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-(3-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide
CID 56796628
2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
CID 76888162
(1-anilino-1-oxopropan-2-yl) 3-(4-chlorophenyl)prop-2-enoate
CID 4092648
(2S)-N-(4-chlorophenyl)-2-cyano-4,4-dimethyl-3-oxopentanamide
CID 6929529
(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
CID 98450152
2-chloro-3-oxo-5-phenylpent-4-enenitrile
CID 176654493
3-(4-chlorophenyl)-2-cyano-N-(4-fluorophenyl)-3-oxopropanamide
CID 7100268
2-cyano-5,5-dimethyl-3-oxo-N-phenylhexanamide
CID 47275627
(2-anilino-2-oxoethyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2343081
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide?
The IUPAC name of (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide (CID 98548775) is (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide.
What is the SMILES notation for (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide?
The canonical SMILES for (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide is N#C[C@@H](C(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide?
The InChIKey is QINXCVRIDQGSLI-CLOOOTJHSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-14-9-6-13(7-10-14)8-11-17(22)16(12-20)18(23)21-15-4-2-1-3-5-15/h1-11,16H,(H,21,23)/b11-8-/t16-/m0/s1.
What are the key properties of (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide?
(Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide has a molecular weight of 324.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-5-(4-chlorophenyl)-2-cyano-3-oxo-N-phenylpent-4-enamide is sourced from PubChem (CID 98548775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).