2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide

C15H20F2N2O2 — CID 2078037

IUPAC2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-14(20)11-19-9-5-1-2-6-10-19/h3-4,7-8,15H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyZANJTQDNAAZZDF-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.10
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 2078037) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID2078037
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-14(20)11-19-9-5-1-2-6-10-19/h3-4,7-8,15H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyZANJTQDNAAZZDF-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 2078037) is 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CN1CCCCCC1)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is ZANJTQDNAAZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-14(20)11-19-9-5-1-2-6-10-19/h3-4,7-8,15H,1-2,5-6,9-11H2,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 298.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2078037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).