(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

C21H13F3N2O — CID 7967270

IUPAC(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)18-10-4-2-7-15(18)12-16(13-25)20(27)26-19-11-5-8-14-6-1-3-9-17(14)19/h1-12H,(H,26,27)/b16-12+
InChIKeyHNEJLDCMCFZRIA-FOWTUZBSSA-N
MW366.34 g/mol
LogP5.40
Rot. Bonds3

About (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 7967270) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID7967270
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)18-10-4-2-7-15(18)12-16(13-25)20(27)26-19-11-5-8-14-6-1-3-9-17(14)19/h1-12H,(H,26,27)/b16-12+
InChIKeyHNEJLDCMCFZRIA-FOWTUZBSSA-N
XLogP5.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.40
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-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6251517
(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 27103075
(E)-2-cyano-3-(2-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19206748
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 60591928
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18289861

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 7967270) is (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is HNEJLDCMCFZRIA-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)18-10-4-2-7-15(18)12-16(13-25)20(27)26-19-11-5-8-14-6-1-3-9-17(14)19/h1-12H,(H,26,27)/b16-12+.
What are the key properties of (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 366.34 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 7967270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).