(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C18H14Cl2N2O2 — CID 6079942

IUPAC(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-16-4-2-12(19)8-15(16)20/h2-5,7-8,10,14H,6H2,1H3,(H,22,23)/b11-7+
InChIKeyWZTWKKZBWRGELO-YRNVUSSQSA-N
MW361.23 g/mol
LogP5.26
Rot. Bonds4

About (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 6079942) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID6079942
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-16-4-2-12(19)8-15(16)20/h2-5,7-8,10,14H,6H2,1H3,(H,22,23)/b11-7+
InChIKeyWZTWKKZBWRGELO-YRNVUSSQSA-N
XLogP5.26
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 6079942) is (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is WZTWKKZBWRGELO-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-16-4-2-12(19)8-15(16)20/h2-5,7-8,10,14H,6H2,1H3,(H,22,23)/b11-7+.
What are the key properties of (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 361.23 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 6079942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).