1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone

C16H23FN2O — CID 78791327

IUPAC1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)N1CCCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-18(12-14-8-4-5-9-15(14)17)13-16(20)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyFYTJZTNAMCJKEJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.66
Rot. Bonds4

About 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone

1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 78791327) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
PubChem CID78791327
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)N1CCCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-18(12-14-8-4-5-9-15(14)17)13-16(20)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyFYTJZTNAMCJKEJ-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]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-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
2-[(2-fluorophenyl)methyl-methylamino]-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 91831609
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 91765336
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
2-[(2-fluorophenyl)methyl-methylamino]-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 157012890
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone (CID 78791327) is 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)N1CCCCCC1)Cc1ccccc1F.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is FYTJZTNAMCJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18(12-14-8-4-5-9-15(14)17)13-16(20)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 78791327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).