3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C14H18F3NO2 — CID 51082979

IUPAC3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-10(2)20-9-12-5-3-11(4-6-12)8-18-13(19)7-14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyFWFGKIBLFWRFSO-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.18
Rot. Bonds6

About 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide

3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 51082979) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID51082979
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-10(2)20-9-12-5-3-11(4-6-12)8-18-13(19)7-14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyFWFGKIBLFWRFSO-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide 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-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
Flumetramide
CID 23512
N-isopropyl-4-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 842473
N-[2-(dimethylamino)ethyl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 892638
2-Amino-1-phenylethanol, N,O-bis(pentafluoropropionyl)-
CID 53755055
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 37357721
2,5-difluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 45900647
2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51077616
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737561

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 51082979) is 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccc(CNC(=O)CC(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is FWFGKIBLFWRFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10(2)20-9-12-5-3-11(4-6-12)8-18-13(19)7-14(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 51082979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).