azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 113218844

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

About azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone

azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 113218844) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID113218844
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameazocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCCCCC2)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-19-12-7-8-13(14(16)11-12)15(18)17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKeyIXLPAVJXYMXHGZ-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

1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
(2-fluoro-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653073
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone (CID 113218844) is azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCCCCC2)c(F)c1.
What is the InChIKey of azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is IXLPAVJXYMXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-12-7-8-13(14(16)11-12)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-(2-fluoro-4-methoxyphenyl)methanone?
azocan-1-yl-(2-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-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 113218844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).