(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

C15H11ClN2O2 — CID 738795

IUPAC(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8-
InChIKeyUPXZHIQKJRJQCU-FLIBITNWSA-N
MW286.72 g/mol
LogP3.79
Rot. Bonds3

About (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 738795) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID738795
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8-
InChIKeyUPXZHIQKJRJQCU-FLIBITNWSA-N
XLogP3.79
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-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)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420
(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 99892590
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 1179037
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
(Z)-N-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1124891
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 18863293
butyl 4-[[2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
CID 3599757
4-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid
CID 1269349
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (CID 738795) is (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is UPXZHIQKJRJQCU-FLIBITNWSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-10-2-7-14(20-10)8-11(9-17)15(19)18-13-5-3-12(16)4-6-13/h2-8H,1H3,(H,18,19)/b11-8-.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 286.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 738795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).