2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H24F3N3O2 — CID 4781379

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCCCCC1
InChIInChI=1S/C18H24F3N3O2/c1-23(13-17(26)24-10-6-2-3-7-11-24)12-16(25)22-15-9-5-4-8-14(15)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,25)
InChIKeyKKIQVFNDONLOSG-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.98
Rot. Bonds5

About 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4781379) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID4781379
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCCCCC1
InChIInChI=1S/C18H24F3N3O2/c1-23(13-17(26)24-10-6-2-3-7-11-24)12-16(25)22-15-9-5-4-8-14(15)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,25)
InChIKeyKKIQVFNDONLOSG-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.98
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-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 4781379) is 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KKIQVFNDONLOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-23(13-17(26)24-10-6-2-3-7-11-24)12-16(25)22-15-9-5-4-8-14(15)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,25).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.98, 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-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4781379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).