azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 86906608

IUPACazocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCCCCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-19-14-8-7-12(11-13(14)16)15(18)17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKeyDDHQRCUGNALQQJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.24
Rot. Bonds2

About azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone

azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 86906608) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID86906608
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameazocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCCCCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-19-14-8-7-12(11-13(14)16)15(18)17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKeyDDHQRCUGNALQQJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
4-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810353
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone (CID 86906608) is azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCCCCC2)cc1F.
What is the InChIKey of azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DDHQRCUGNALQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-14-8-7-12(11-13(14)16)15(18)17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone?
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 86906608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).