1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone

C15H20FNO — CID 63623184

IUPAC1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H20FNO/c1-12-5-4-9-17(10-8-12)11-15(18)13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyHKUICSLLCXYLOR-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone

1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone (PubChem CID 63623184) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
PubChem CID63623184
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H20FNO/c1-12-5-4-9-17(10-8-12)11-15(18)13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyHKUICSLLCXYLOR-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone (CID 63623184) is 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone is CC1CCCN(CC(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone?
The InChIKey is HKUICSLLCXYLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-12-5-4-9-17(10-8-12)11-15(18)13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone?
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 63623184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).