(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide

C15H17F3N2O — CID 1475994

IUPAC(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C15H17F3N2O/c1-11(20-7-2-3-8-20)9-14(21)19-13-6-4-5-12(10-13)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)/b11-9-
InChIKeyWYOUAPQUYHEVQL-LUAWRHEFSA-N
MW298.31 g/mol
LogP3.64
Rot. Bonds3

About (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide

(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 1475994) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID1475994
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C15H17F3N2O/c1-11(20-7-2-3-8-20)9-14(21)19-13-6-4-5-12(10-13)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)/b11-9-
InChIKeyWYOUAPQUYHEVQL-LUAWRHEFSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-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

N-(3-fluorophenyl)-3-pyrrolidin-1-ylbut-2-enamide
CID 3803418
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
CID 134118268
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide (CID 1475994) is (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide is C/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is WYOUAPQUYHEVQL-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-11(20-7-2-3-8-20)9-14(21)19-13-6-4-5-12(10-13)15(16,17)18/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)/b11-9-.
What are the key properties of (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
(Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 298.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 1475994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).