2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

C22H17FN2O2 — CID 5191792

IUPAC2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26)
InChIKeyOBMMOHDQYSAMEB-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.35
Rot. Bonds6

About 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide

2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 5191792) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID5191792
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26)
InChIKeyOBMMOHDQYSAMEB-UHFFFAOYSA-N
XLogP4.35
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.35
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

2-cyano-N-(2-phenylethyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1178610
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide
CID 39974147
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183908
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 1189790
(Z)-2-cyano-N-(3-phenylpropyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 126227435
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 4710196
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835304
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3128896
3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 1178608

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide (CID 5191792) is 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is OBMMOHDQYSAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-19-8-6-17(7-9-19)21-11-10-20(27-21)14-18(15-24)22(26)25-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,26).
What are the key properties of 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide?
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 360.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 5191792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).