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

C15H11ClN2O2 — CID 738825

IUPAC(E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H11ClN2O2/c1-10-5-6-14(20-10)7-11(9-17)15(19)18-13-4-2-3-12(16)8-13/h2-8H,1H3,(H,18,19)/b11-7+
InChIKeyRISXJWSXQIVBKH-YRNVUSSQSA-N
MW286.72 g/mol
LogP3.79
Rot. Bonds3

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

(E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 738825) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID738825
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H11ClN2O2/c1-10-5-6-14(20-10)7-11(9-17)15(19)18-13-4-2-3-12(16)8-13/h2-8H,1H3,(H,18,19)/b11-7+
InChIKeyRISXJWSXQIVBKH-YRNVUSSQSA-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'}

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Related Compounds

(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(2,5-dichlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 882763
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
(2E)-N-(3-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 729760
(2E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
CID 738823
(2E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738836
(E)-N-(2-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 5774261
(E)-2-Cyano-N-(2,5-dichlorophenyl)-3-(5-(2-methylcyclopropyl)furan-2-yl)acrylamide
CID 5845751
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 6079942
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 6298579

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (CID 738825) is (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is RISXJWSXQIVBKH-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-10-5-6-14(20-10)7-11(9-17)15(19)18-13-4-2-3-12(16)8-13/h2-8H,1H3,(H,18,19)/b11-7+.
What are the key properties of (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3-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 (E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 738825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).