8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone

C16H19BrClNO — CID 81307681

IUPAC8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H19BrClNO/c17-13-4-3-12(11-14(13)18)15(20)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10H2
InChIKeyGKRVWAOSYKMJQR-UHFFFAOYSA-N
MW356.69 g/mol
LogP4.90
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone

8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone (PubChem CID 81307681) has the molecular formula C16H19BrClNO and a molecular weight of 356.69 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
PubChem CID81307681
Molecular FormulaC16H19BrClNO
Molecular Weight356.69 g/mol
Exact Mass355.03
IUPAC Name8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H19BrClNO/c17-13-4-3-12(11-14(13)18)15(20)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10H2
InChIKeyGKRVWAOSYKMJQR-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 80979556
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(4-bromo-3-chlorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 81308220
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone (CID 81307681) is 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone is O=C(c1ccc(Br)c(Cl)c1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone?
The InChIKey is GKRVWAOSYKMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO/c17-13-4-3-12(11-14(13)18)15(20)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone?
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone has a molecular weight of 356.69 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone is sourced from PubChem (CID 81307681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).