(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide

C15H11FN2O2 — CID 126025634

IUPAC(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H11FN2O2/c1-18-15(19)11(9-17)8-13-5-6-14(20-13)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/b11-8-
InChIKeyXYGFBDSIZHTZRP-FLIBITNWSA-N
MW270.26 g/mol
LogP2.74
Rot. Bonds3

About (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide

(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide (PubChem CID 126025634) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
PubChem CID126025634
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H11FN2O2/c1-18-15(19)11(9-17)8-13-5-6-14(20-13)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/b11-8-
InChIKeyXYGFBDSIZHTZRP-FLIBITNWSA-N
XLogP2.74
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.74
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

(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538
(Z)-2-cyano-N-(2-ethylphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 124652228
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126019855
(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
methyl 4-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 782487
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-fluorophenyl)prop-2-enamide
CID 6092732
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863485
(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-methylprop-2-enamide
CID 6001409
(E)-2-cyano-N-methyl-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide
CID 878990
(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 124652231
(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide
CID 126239072

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide (CID 126025634) is (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide is CNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide?
The InChIKey is XYGFBDSIZHTZRP-FLIBITNWSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-18-15(19)11(9-17)8-13-5-6-14(20-13)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/b11-8-.
What are the key properties of (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide?
(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide has a molecular weight of 270.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 126025634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).