(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

C17H10F4N2O — CID 47005743

IUPAC(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H10F4N2O/c18-13-7-5-11(6-8-13)9-12(10-22)16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-9H,(H,23,24)/b12-9-
InChIKeyNSIZUHYUAZQRTM-XFXZXTDPSA-N
MW334.27 g/mol
LogP4.39
Rot. Bonds3

About (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 47005743) has the molecular formula C17H10F4N2O and a molecular weight of 334.27 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID47005743
Molecular FormulaC17H10F4N2O
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H10F4N2O/c18-13-7-5-11(6-8-13)9-12(10-22)16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-9H,(H,23,24)/b12-9-
InChIKeyNSIZUHYUAZQRTM-XFXZXTDPSA-N
XLogP4.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 54.39
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

(E)-2-cyano-3-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 729037
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
2-[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenoxy]acetic acid
CID 6307896
(E)-3-(4-butoxyphenyl)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175521
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181
2-[[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 958220
(E)-3-(5-bromothiophen-3-yl)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55578568
(E)-2-cyano-3-(1-phenylpyrazol-4-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 27395232
2-cyano-3-(5-fluoro-1-benzofuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 136527895
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
(Z)-2-cyano-3-(3-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 47005741
(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 27129602

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 47005743) is (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is NSIZUHYUAZQRTM-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H10F4N2O/c18-13-7-5-11(6-8-13)9-12(10-22)16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-9H,(H,23,24)/b12-9-.
What are the key properties of (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 334.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 47005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).