1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone

C15H20F2N2O2 — CID 43217745

IUPAC1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCCCCC1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-11-14(20)19-9-5-1-2-6-10-19/h3-4,7-8,15,18H,1-2,5-6,9-11H2
InChIKeyHCIPDONFEOCSHV-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.10
Rot. Bonds5

About 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone

1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone (PubChem CID 43217745) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
PubChem CID43217745
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCCCCC1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-11-14(20)19-9-5-1-2-6-10-19/h3-4,7-8,15,18H,1-2,5-6,9-11H2
InChIKeyHCIPDONFEOCSHV-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 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone (CID 43217745) is 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone is O=C(CNc1ccccc1OC(F)F)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone?
The InChIKey is HCIPDONFEOCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)21-13-8-4-3-7-12(13)18-11-14(20)19-9-5-1-2-6-10-19/h3-4,7-8,15,18H,1-2,5-6,9-11H2.
What are the key properties of 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone?
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone 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 1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone is sourced from PubChem (CID 43217745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).