6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone

C15H17BrFNO — CID 172913990

IUPAC6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)N2CCC3(CC2)CC3)cc1F
InChIInChI=1S/C15H17BrFNO/c1-10-8-12(16)11(9-13(10)17)14(19)18-6-4-15(2-3-15)5-7-18/h8-9H,2-7H2,1H3
InChIKeyJGDQACVSHJEKPP-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.91
Rot. Bonds1

About 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone

6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone (PubChem CID 172913990) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
PubChem CID172913990
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)N2CCC3(CC2)CC3)cc1F
InChIInChI=1S/C15H17BrFNO/c1-10-8-12(16)11(9-13(10)17)14(19)18-6-4-15(2-3-15)5-7-18/h8-9H,2-7H2,1H3
InChIKeyJGDQACVSHJEKPP-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 172913969
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
(2-bromo-5-fluoro-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 172914000
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654
(5-amino-2-bromo-4-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096176
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(5-bromo-2,4-difluorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648531
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156469
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone (CID 172913990) is 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone is Cc1cc(Br)c(C(=O)N2CCC3(CC2)CC3)cc1F.
What is the InChIKey of 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone?
The InChIKey is JGDQACVSHJEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-10-8-12(16)11(9-13(10)17)14(19)18-6-4-15(2-3-15)5-7-18/h8-9H,2-7H2,1H3.
What are the key properties of 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone?
6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone has a molecular weight of 326.21 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 172913990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).