2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

C17H24FN3O2 — CID 9253224

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCCCCC1
InChIInChI=1S/C17H24FN3O2/c1-20(13-17(23)21-10-4-2-3-5-11-21)12-16(22)19-15-8-6-14(18)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,19,22)
InChIKeyZQRCADPMZOEFGC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.10
Rot. Bonds5

About 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9253224) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9253224
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCCCCC1
InChIInChI=1S/C17H24FN3O2/c1-20(13-17(23)21-10-4-2-3-5-11-21)12-16(22)19-15-8-6-14(18)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,19,22)
InChIKeyZQRCADPMZOEFGC-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 9253224) is 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZQRCADPMZOEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20(13-17(23)21-10-4-2-3-5-11-21)12-16(22)19-15-8-6-14(18)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,19,22).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9253224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).