(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide

C15H17F3N2O2 — CID 108934341

IUPAC(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-10(2)7-8-13(21)20-12-6-4-3-5-11(12)9-19-14(22)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21)/b8-7+
InChIKeyCVFJAHUMUWNSRZ-BQYQJAHWSA-N
MW314.31 g/mol
LogP3.02
Rot. Bonds5

About (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide

(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide (PubChem CID 108934341) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
PubChem CID108934341
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-10(2)7-8-13(21)20-12-6-4-3-5-11(12)9-19-14(22)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21)/b8-7+
InChIKeyCVFJAHUMUWNSRZ-BQYQJAHWSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-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)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108934307
(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide
CID 108934362
tert-butyl N-[3-[[2-[[(E)-4-methylpent-2-enoyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921123
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934015
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide (CID 108934341) is (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide is CC(C)/C=C/C(=O)Nc1ccccc1CNC(=O)C(F)(F)F.
What is the InChIKey of (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide?
The InChIKey is CVFJAHUMUWNSRZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(2)7-8-13(21)20-12-6-4-3-5-11(12)9-19-14(22)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21)/b8-7+.
What are the key properties of (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide?
(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide has a molecular weight of 314.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide is sourced from PubChem (CID 108934341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).