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

C16H21F3N2O — CID 8583773

IUPAC2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-8-4-5-9-14(13)20-15(22)12-21-10-6-2-1-3-7-11-21/h4-5,8-9H,1-3,6-7,10-12H2,(H,20,22)
InChIKeyWMDOXLOQPLVQGM-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.91
Rot. Bonds3

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

2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8583773) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8583773
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCCCCC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-8-4-5-9-14(13)20-15(22)12-21-10-6-2-1-3-7-11-21/h4-5,8-9H,1-3,6-7,10-12H2,(H,20,22)
InChIKeyWMDOXLOQPLVQGM-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3722785
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766
2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3670383

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8583773) is 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCCCCC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WMDOXLOQPLVQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)13-8-4-5-9-14(13)20-15(22)12-21-10-6-2-1-3-7-11-21/h4-5,8-9H,1-3,6-7,10-12H2,(H,20,22).
What are the key properties of 2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 3.91, 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]acetamide is sourced from PubChem (CID 8583773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).