(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide

C18H15FN2O — CID 773363

IUPAC(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(F)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H15FN2O/c19-17-8-4-7-15(12-17)11-16(13-20)18(22)21-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,22)/b16-11+
InChIKeyOUVIZCIDMRKSRB-LFIBNONCSA-N
MW294.33 g/mol
LogP3.09
Rot. Bonds5

About (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide

(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 773363) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID773363
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1cccc(F)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H15FN2O/c19-17-8-4-7-15(12-17)11-16(13-20)18(22)21-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,22)/b16-11+
InChIKeyOUVIZCIDMRKSRB-LFIBNONCSA-N
XLogP3.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183864
3-[3-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenoxy]propanoic acid
CID 76877981
2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731
(Z)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183882
(E)-2-cyano-3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 6122772
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183889
(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183866
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835304
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674
3-(4-chloro-3-nitrophenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 4874915
2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 78650220
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide (CID 773363) is (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C\c1cccc(F)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is OUVIZCIDMRKSRB-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-17-8-4-7-15(12-17)11-16(13-20)18(22)21-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,22)/b16-11+.
What are the key properties of (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 294.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 773363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).