azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone

C18H24FNO — CID 110436863

IUPACazepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H24FNO/c19-16-10-4-3-9-15(16)18(11-5-6-12-18)17(21)20-13-7-1-2-8-14-20/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyILOOSFICMURURB-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.04
Rot. Bonds2

About azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone

azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone (PubChem CID 110436863) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
PubChem CID110436863
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Nameazepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H24FNO/c19-16-10-4-3-9-15(16)18(11-5-6-12-18)17(21)20-13-7-1-2-8-14-20/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyILOOSFICMURURB-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
CID 115055901
(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110411008
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 146121846
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772941

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone (CID 110436863) is azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone is O=C(N1CCCCCC1)C1(c2ccccc2F)CCCC1.
What is the InChIKey of azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone?
The InChIKey is ILOOSFICMURURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c19-16-10-4-3-9-15(16)18(11-5-6-12-18)17(21)20-13-7-1-2-8-14-20/h3-4,9-10H,1-2,5-8,11-14H2.
What are the key properties of azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone?
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone has a molecular weight of 289.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 110436863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).