(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide

C17H13FN2O2 — CID 2372249

IUPAC(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-16-4-2-1-3-13(16)11-22-15-7-5-12(6-8-15)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-9+
InChIKeyWIVQLGBUDFITQF-NTEUORMPSA-N
MW296.30 g/mol
LogP2.80
Rot. Bonds5

About (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide

(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 2372249) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID2372249
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-16-4-2-1-3-13(16)11-22-15-7-5-12(6-8-15)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-9+
InChIKeyWIVQLGBUDFITQF-NTEUORMPSA-N
XLogP2.80
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.80
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)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 124651830
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-prop-2-enylprop-2-enamide
CID 24542435
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 24542406
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 6170562
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6129619
(Z)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170917443
2-(2-chlorophenyl)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 5156155
(E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374827
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
2-[[4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzonitrile
CID 21381952
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 56803777

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide (CID 2372249) is (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide is N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is WIVQLGBUDFITQF-NTEUORMPSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-16-4-2-1-3-13(16)11-22-15-7-5-12(6-8-15)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)/b14-9+.
What are the key properties of (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide?
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 296.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 2372249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).