3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride

C17H24BrClN2O — CID 45259577

IUPAC3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C17H23BrN2O.ClH/c1-20-11-5-10-17(20)9-3-2-8-15(17)19-16(21)13-6-4-7-14(18)12-13;/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1
InChIKeyHYJVIUUQDUTPQD-KPVRICSOSA-N
MW387.75 g/mol
LogP4.01
Rot. Bonds2

About 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride

3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride (PubChem CID 45259577) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
PubChem CID45259577
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C17H23BrN2O.ClH/c1-20-11-5-10-17(20)9-3-2-8-15(17)19-16(21)13-6-4-7-14(18)12-13;/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1
InChIKeyHYJVIUUQDUTPQD-KPVRICSOSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride (CID 45259577) is 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride is CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The InChIKey is HYJVIUUQDUTPQD-KPVRICSOSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c1-20-11-5-10-17(20)9-3-2-8-15(17)19-16(21)13-6-4-7-14(18)12-13;/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1.
What are the key properties of 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride is sourced from PubChem (CID 45259577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).