N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide

C17H22F2N2O2 — CID 113135398

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O2/c1-13(22)21(17-14(18)7-6-8-15(17)19)12-9-16(23)20-10-4-2-3-5-11-20/h6-8H,2-5,9-12H2,1H3
InChIKeyRUFKKKWHJHNPJX-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.11
Rot. Bonds4

About N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide (PubChem CID 113135398) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
PubChem CID113135398
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O2/c1-13(22)21(17-14(18)7-6-8-15(17)19)12-9-16(23)20-10-4-2-3-5-11-20/h6-8H,2-5,9-12H2,1H3
InChIKeyRUFKKKWHJHNPJX-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113125572
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113131207
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide (CID 113135398) is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide is CC(=O)N(CCC(=O)N1CCCCCC1)c1c(F)cccc1F.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is RUFKKKWHJHNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-13(22)21(17-14(18)7-6-8-15(17)19)12-9-16(23)20-10-4-2-3-5-11-20/h6-8H,2-5,9-12H2,1H3.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 324.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 113135398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).