2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

C15H15F3N2O2 — CID 29182663

IUPAC2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCn1ccc(CC(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2O2/c1-20-6-5-12(10-20)8-14(21)19-9-11-3-2-4-13(7-11)22-15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyKEDUARPKMBQXQJ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 29182663) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID29182663
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCn1ccc(CC(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H15F3N2O2/c1-20-6-5-12(10-20)8-14(21)19-9-11-3-2-4-13(7-11)22-15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyKEDUARPKMBQXQJ-UHFFFAOYSA-N
XLogP2.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide 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-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 74246446
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (CID 29182663) is 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is Cn1ccc(CC(=O)NCc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is KEDUARPKMBQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-20-6-5-12(10-20)8-14(21)19-9-11-3-2-4-13(7-11)22-15(16,17)18/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 312.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 29182663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).