(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide

C11H9ClF3NO — CID 47099874

IUPAC(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3NO/c1-16-10(17)5-3-7-2-4-9(12)8(6-7)11(13,14)15/h2-6H,1H3,(H,16,17)/b5-3+
InChIKeyJUXYYEUBONQYQZ-HWKANZROSA-N
MW263.65 g/mol
LogP3.12
Rot. Bonds2

About (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide (PubChem CID 47099874) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
PubChem CID47099874
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H9ClF3NO/c1-16-10(17)5-3-7-2-4-9(12)8(6-7)11(13,14)15/h2-6H,1H3,(H,16,17)/b5-3+
InChIKeyJUXYYEUBONQYQZ-HWKANZROSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-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

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N',N'-dimethylprop-2-enehydrazide
CID 9179882
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
(E)-N-[3-chloro-4-(trifluoromethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863156
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 18863137
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide
CID 18863151
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-hydroxybutyl)prop-2-enamide
CID 111429005
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-piperidin-1-ylprop-2-enamide
CID 9271811
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 86932537
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 18863191
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]prop-2-enamide
CID 134016798
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methoxybutan-2-yl)prop-2-enamide
CID 60618990
2-[[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 18863167

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide (CID 47099874) is (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide?
The InChIKey is JUXYYEUBONQYQZ-HWKANZROSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c1-16-10(17)5-3-7-2-4-9(12)8(6-7)11(13,14)15/h2-6H,1H3,(H,16,17)/b5-3+.
What are the key properties of (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide?
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide has a molecular weight of 263.65 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 47099874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).