2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C17H23F3N2O — CID 24506631

IUPAC2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCCCCCC1
InChIInChI=1S/C17H23F3N2O/c1-13(22-11-7-3-2-4-8-12-22)16(23)21-15-10-6-5-9-14(15)17(18,19)20/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,23)
InChIKeyQEXMTYHWYYXLGC-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.30
Rot. Bonds3

About 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 24506631) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID24506631
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCCCCCC1
InChIInChI=1S/C17H23F3N2O/c1-13(22-11-7-3-2-4-8-12-22)16(23)21-15-10-6-5-9-14(15)17(18,19)20/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,23)
InChIKeyQEXMTYHWYYXLGC-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]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

1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-(4-propanoyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 87021855
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
CID 86969750
N-[2-(trifluoromethyl)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507173
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 24506631) is 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QEXMTYHWYYXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-13(22-11-7-3-2-4-8-12-22)16(23)21-15-10-6-5-9-14(15)17(18,19)20/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24506631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).