azocan-1-yl-(5-bromo-2-fluorophenyl)methanone

C14H17BrFNO — CID 28801538

IUPACazocan-1-yl-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCCCCCC1
InChIInChI=1S/C14H17BrFNO/c15-11-6-7-13(16)12(10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2
InChIKeyWTKJBFPOTFZMKS-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.99
Rot. Bonds1

About azocan-1-yl-(5-bromo-2-fluorophenyl)methanone

azocan-1-yl-(5-bromo-2-fluorophenyl)methanone (PubChem CID 28801538) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is azocan-1-yl-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(5-bromo-2-fluorophenyl)methanone
PubChem CID28801538
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Nameazocan-1-yl-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCCCCCC1
InChIInChI=1S/C14H17BrFNO/c15-11-6-7-13(16)12(10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2
InChIKeyWTKJBFPOTFZMKS-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
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1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
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(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
1-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]butan-1-one
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(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of azocan-1-yl-(5-bromo-2-fluorophenyl)methanone (CID 28801538) is azocan-1-yl-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for azocan-1-yl-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for azocan-1-yl-(5-bromo-2-fluorophenyl)methanone is O=C(c1cc(Br)ccc1F)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is WTKJBFPOTFZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-11-6-7-13(16)12(10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2.
What are the key properties of azocan-1-yl-(5-bromo-2-fluorophenyl)methanone?
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone has a molecular weight of 314.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 28801538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).