2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride

C18H26BrClN2O — CID 45264050

IUPAC2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C18H25BrN2O.ClH/c1-21-12-4-11-18(21)10-3-2-5-16(18)20-17(22)13-14-6-8-15(19)9-7-14;/h6-9,16H,2-5,10-13H2,1H3,(H,20,22);1H/t16-,18+;/m0./s1
InChIKeyYOLWMFRTTKVYQR-KUGOCAJQSA-N
MW401.78 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride

2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride (PubChem CID 45264050) has the molecular formula C18H26BrClN2O and a molecular weight of 401.78 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride
PubChem CID45264050
Molecular FormulaC18H26BrClN2O
Molecular Weight401.78 g/mol
Exact Mass400.09
IUPAC Name2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C18H25BrN2O.ClH/c1-21-12-4-11-18(21)10-3-2-5-16(18)20-17(22)13-14-6-8-15(19)9-7-14;/h6-9,16H,2-5,10-13H2,1H3,(H,20,22);1H/t16-,18+;/m0./s1
InChIKeyYOLWMFRTTKVYQR-KUGOCAJQSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride (CID 45264050) is 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride is CN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride?
The InChIKey is YOLWMFRTTKVYQR-KUGOCAJQSA-N. The full InChI is InChI=1S/C18H25BrN2O.ClH/c1-21-12-4-11-18(21)10-3-2-5-16(18)20-17(22)13-14-6-8-15(19)9-7-14;/h6-9,16H,2-5,10-13H2,1H3,(H,20,22);1H/t16-,18+;/m0./s1.
What are the key properties of 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride?
2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride has a molecular weight of 401.78 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide;hydrochloride is sourced from PubChem (CID 45264050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).