(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

C18H13F3N2O — CID 2365263

IUPAC(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-12-6-8-15(9-7-12)23-17(24)14(11-22)10-13-4-2-3-5-16(13)18(19,20)21/h2-10H,1H3,(H,23,24)/b14-10+
InChIKeyFQTOIDPMAHPWAA-GXDHUFHOSA-N
MW330.31 g/mol
LogP4.56
Rot. Bonds3

About (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2365263) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2365263
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-12-6-8-15(9-7-12)23-17(24)14(11-22)10-13-4-2-3-5-16(13)18(19,20)21/h2-10H,1H3,(H,23,24)/b14-10+
InChIKeyFQTOIDPMAHPWAA-GXDHUFHOSA-N
XLogP4.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.56
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 (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]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

Related Compounds

Teriflunomide
CID 54684141
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Acetylbenzidine
CID 18787
2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
CID 54677977
4-Acetamidophenylacetonitrile
CID 289748
N-(4-cyanophenyl)acetamide
CID 37256
N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide
CID 33296
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
CID 54727972
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 2365263) is (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FQTOIDPMAHPWAA-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-12-6-8-15(9-7-12)23-17(24)14(11-22)10-13-4-2-3-5-16(13)18(19,20)21/h2-10H,1H3,(H,23,24)/b14-10+.
What are the key properties of (E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 330.31 g/mol, XLogP of 4.56, 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-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).