(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide

C20H17F3N2O — CID 126235573

IUPAC(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H17F3N2O/c1-12-7-13(2)18(14(3)8-12)9-15(11-24)19(26)25-17-6-4-5-16(10-17)20(21,22)23/h4-10H,1-3H3,(H,25,26)/b15-9-
InChIKeyOFOKDFMQDUKXNF-DHDCSXOGSA-N
MW358.36 g/mol
LogP5.18
Rot. Bonds3

About (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide

(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 126235573) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID126235573
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H17F3N2O/c1-12-7-13(2)18(14(3)8-12)9-15(11-24)19(26)25-17-6-4-5-16(10-17)20(21,22)23/h4-10H,1-3H3,(H,25,26)/b15-9-
InChIKeyOFOKDFMQDUKXNF-DHDCSXOGSA-N
XLogP5.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.18
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'}

Analyze (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide (CID 126235573) is (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is OFOKDFMQDUKXNF-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-12-7-13(2)18(14(3)8-12)9-15(11-24)19(26)25-17-6-4-5-16(10-17)20(21,22)23/h4-10H,1-3H3,(H,25,26)/b15-9-.
What are the key properties of (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide?
(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 358.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 126235573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).