3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide

C20H13ClN2O2 — CID 796826

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H13ClN2O2/c21-16-8-6-14(7-9-16)19-11-10-18(25-19)12-15(13-22)20(24)23-17-4-2-1-3-5-17/h1-12H,(H,23,24)
InChIKeyMSKAEMIYLOHICM-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.15
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide

3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide (PubChem CID 796826) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
PubChem CID796826
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H13ClN2O2/c21-16-8-6-14(7-9-16)19-11-10-18(25-19)12-15(13-22)20(24)23-17-4-2-1-3-5-17/h1-12H,(H,23,24)
InChIKeyMSKAEMIYLOHICM-UHFFFAOYSA-N
XLogP5.15
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.15
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'}

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Related Compounds

(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 6067734
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-fluorophenyl)prop-2-enamide
CID 6092732
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 7299730
(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 18863503
(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 99892590
(Z)-N-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1124891
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 18863626
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1120866
4-[5-[(E)-3-(4-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 45326893
(E)-2-cyano-N-(3,4-dichlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863623
(E)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide (CID 796826) is 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide is N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide?
The InChIKey is MSKAEMIYLOHICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-8-6-14(7-9-16)19-11-10-18(25-19)12-15(13-22)20(24)23-17-4-2-1-3-5-17/h1-12H,(H,23,24).
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide?
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide has a molecular weight of 348.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide is sourced from PubChem (CID 796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).