6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone

C14H15BrClNO — CID 167530261

IUPAC6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCC2(CC1)CC2
InChIInChI=1S/C14H15BrClNO/c15-12-9-10(16)1-2-11(12)13(18)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2
InChIKeyLXGUXFCWTDLKFN-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.12
Rot. Bonds1

About 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone

6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone (PubChem CID 167530261) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
PubChem CID167530261
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCC2(CC1)CC2
InChIInChI=1S/C14H15BrClNO/c15-12-9-10(16)1-2-11(12)13(18)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2
InChIKeyLXGUXFCWTDLKFN-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
(2-bromo-4-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107988289
(2-bromo-4-chlorophenyl)-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 114025204
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
CID 172913990
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887574
(2-bromo-4-chlorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113257745

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone (CID 167530261) is 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1Br)N1CCC2(CC1)CC2.
What is the InChIKey of 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is LXGUXFCWTDLKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c15-12-9-10(16)1-2-11(12)13(18)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2.
What are the key properties of 6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone?
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 328.64 g/mol, XLogP of 4.12, 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-4-chlorophenyl)methanone is sourced from PubChem (CID 167530261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).