2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide

C15H17F5N2O — CID 8583785

IUPAC2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H17F5N2O/c16-10-11(17)13(19)15(14(20)12(10)18)21-9(23)8-22-6-4-2-1-3-5-7-22/h1-8H2,(H,21,23)
InChIKeyLHPQXDVRPSNONA-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.59
Rot. Bonds3

About 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide

2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 8583785) has the molecular formula C15H17F5N2O and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID8583785
Molecular FormulaC15H17F5N2O
Molecular Weight336.30 g/mol
Exact Mass336.13
IUPAC Name2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H17F5N2O/c16-10-11(17)13(19)15(14(20)12(10)18)21-9(23)8-22-6-4-2-1-3-5-7-22/h1-8H2,(H,21,23)
InChIKeyLHPQXDVRPSNONA-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 8897358
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-(azonan-1-yl)acetohydrazide
CID 130750156
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 8583785) is 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(CN1CCCCCCC1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is LHPQXDVRPSNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N2O/c16-10-11(17)13(19)15(14(20)12(10)18)21-9(23)8-22-6-4-2-1-3-5-7-22/h1-8H2,(H,21,23).
What are the key properties of 2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide?
2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 336.30 g/mol, XLogP of 3.59, 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-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 8583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).