2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

C14H9FN2O2 — CID 842183

IUPAC2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESN#CC(=Cc1ccco1)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H9FN2O2/c15-12-5-1-2-6-13(12)17-14(18)10(9-16)8-11-4-3-7-19-11/h1-8H,(H,17,18)
InChIKeyMALHONGOTXIOKB-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.96
Rot. Bonds3

About 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide

2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 842183) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID842183
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
SMILESN#CC(=Cc1ccco1)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H9FN2O2/c15-12-5-1-2-6-13(12)17-14(18)10(9-16)8-11-4-3-7-19-11/h1-8H,(H,17,18)
InChIKeyMALHONGOTXIOKB-UHFFFAOYSA-N
XLogP2.96
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.96
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-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
2-cyano-N-(2-fluorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 3798411
(Z)-2-cyano-N-(2-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 124661262
2-cyano-3-(3,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 78575259
(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 124652231
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 7911703
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560226

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide (CID 842183) is 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is N#CC(=Cc1ccco1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MALHONGOTXIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-12-5-1-2-6-13(12)17-14(18)10(9-16)8-11-4-3-7-19-11/h1-8H,(H,17,18).
What are the key properties of 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide?
2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 256.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 842183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).