3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone

C17H21BrClNO — CID 107988255

IUPAC3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H21BrClNO/c18-15-12-13(19)4-5-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11H2
InChIKeyFYGRFSZAGCVLIT-UHFFFAOYSA-N
MW370.72 g/mol
LogP5.29
Rot. Bonds1

About 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone

3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone (PubChem CID 107988255) has the molecular formula C17H21BrClNO and a molecular weight of 370.72 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
PubChem CID107988255
Molecular FormulaC17H21BrClNO
Molecular Weight370.72 g/mol
Exact Mass369.05
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H21BrClNO/c18-15-12-13(19)4-5-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11H2
InChIKeyFYGRFSZAGCVLIT-UHFFFAOYSA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
(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
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(2-bromo-4-chlorophenyl)-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 114025204
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(2-bromo-4-chlorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113257745
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480
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
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone (CID 107988255) is 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1Br)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is FYGRFSZAGCVLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClNO/c18-15-12-13(19)4-5-14(15)16(21)20-10-8-17(9-11-20)6-2-1-3-7-17/h4-5,12H,1-3,6-11H2.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone?
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 370.72 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 107988255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).