(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide

C17H13FN2O — CID 2426715

IUPAC(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
SMILESN#C/C(=C/c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-16-8-6-14(7-9-16)12-20-17(21)15(11-19)10-13-4-2-1-3-5-13/h1-10H,12H2,(H,20,21)/b15-10-
InChIKeySPLBPFJLGVHZOL-GDNBJRDFSA-N
MW280.30 g/mol
LogP3.05
Rot. Bonds4

About (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide

(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 2426715) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
PubChem CID2426715
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
SMILESN#C/C(=C/c1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c18-16-8-6-14(7-9-16)12-20-17(21)15(11-19)10-13-4-2-1-3-5-13/h1-10H,12H2,(H,20,21)/b15-10-
InChIKeySPLBPFJLGVHZOL-GDNBJRDFSA-N
XLogP3.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.05
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

2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 5014584
(E)-3-(4-anilinophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 9045300
(E)-N-benzyl-2-cyano-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 7966899
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 17373309
(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 2382425
(E)-N-benzyl-3-(3-bromo-4-fluorophenyl)-2-cyanoprop-2-enamide
CID 7515560
(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 124628601
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(E)-N-benzyl-2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 31389237
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 2364643
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide (CID 2426715) is (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide is N#C/C(=C/c1ccccc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is SPLBPFJLGVHZOL-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-16-8-6-14(7-9-16)12-20-17(21)15(11-19)10-13-4-2-1-3-5-13/h1-10H,12H2,(H,20,21)/b15-10-.
What are the key properties of (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide?
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 280.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 2426715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).