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

C13H13F3N2O2 — CID 108933950

IUPAC2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-8(2)11(19)17-7-9-3-5-10(6-4-9)18-12(20)13(14,15)16/h3-6H,1,7H2,2H3,(H,17,19)(H,18,20)
InChIKeyRHNQJHFGKMYLBY-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.38
Rot. Bonds4

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

2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide (PubChem CID 108933950) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
PubChem CID108933950
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-8(2)11(19)17-7-9-3-5-10(6-4-9)18-12(20)13(14,15)16/h3-6H,1,7H2,2H3,(H,17,19)(H,18,20)
InChIKeyRHNQJHFGKMYLBY-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]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

2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
3-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108933948
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108933890
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide (CID 108933950) is 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide is C=C(C)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
The InChIKey is RHNQJHFGKMYLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8(2)11(19)17-7-9-3-5-10(6-4-9)18-12(20)13(14,15)16/h3-6H,1,7H2,2H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide?
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide has a molecular weight of 286.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 108933950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).