(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide

C15H17ClF3NO2 — CID 60618990

IUPAC(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide
SMILESCOCCC(C)NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H17ClF3NO2/c1-10(7-8-22-2)20-14(21)6-4-11-3-5-13(16)12(9-11)15(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)/b6-4+
InChIKeyLOLOUGKKQXHYMW-GQCTYLIASA-N
MW335.75 g/mol
LogP3.91
Rot. Bonds6

About (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide (PubChem CID 60618990) has the molecular formula C15H17ClF3NO2 and a molecular weight of 335.75 g/mol. Its IUPAC name is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide
PubChem CID60618990
Molecular FormulaC15H17ClF3NO2
Molecular Weight335.75 g/mol
Exact Mass335.09
IUPAC Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide
SMILESCOCCC(C)NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H17ClF3NO2/c1-10(7-8-22-2)20-14(21)6-4-11-3-5-13(16)12(9-11)15(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)/b6-4+
InChIKeyLOLOUGKKQXHYMW-GQCTYLIASA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)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

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-hydroxybutyl)prop-2-enamide
CID 111429005
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
CID 47099874
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N',N'-dimethylprop-2-enehydrazide
CID 9179882
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[(3,5-dimethoxyphenyl)methyl]prop-2-enamide
CID 46673519
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
(E)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 90129447
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(propanoylamino)phenyl]prop-2-enamide
CID 46584642
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-piperidin-1-ylprop-2-enamide
CID 9271811
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]prop-2-enamide
CID 134016798
2-[3-(3-chloro-4-fluorophenyl)prop-2-enoylamino]-4-methoxybutanoic acid
CID 76944120
(E)-N-[3-chloro-4-(trifluoromethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863156

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide (CID 60618990) is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide is COCCC(C)NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide?
The InChIKey is LOLOUGKKQXHYMW-GQCTYLIASA-N. The full InChI is InChI=1S/C15H17ClF3NO2/c1-10(7-8-22-2)20-14(21)6-4-11-3-5-13(16)12(9-11)15(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)/b6-4+.
What are the key properties of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide?
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide has a molecular weight of 335.75 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 60618990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).