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

C17H24Cl2N2O — CID 45264009

IUPAC4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-20-12-4-11-17(20)10-3-2-5-15(17)19-16(21)13-6-8-14(18)9-7-13;/h6-9,15H,2-5,10-12H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1
InChIKeyWVKCPLKPEHZAGR-KPVRICSOSA-N
MW343.30 g/mol
LogP3.90
Rot. Bonds2

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

4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride (PubChem CID 45264009) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
PubChem CID45264009
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-20-12-4-11-17(20)10-3-2-5-15(17)19-16(21)13-6-8-14(18)9-7-13;/h6-9,15H,2-5,10-12H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1
InChIKeyWVKCPLKPEHZAGR-KPVRICSOSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride with MolForge

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Related Compounds

U-47700
CID 71719125
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Jnj-63533054
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4-Chloro-N-phenethylbenzamide
CID 306479
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
PF-184298
CID 11392888
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
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Benzamide derivative 11
CID 41306362
Benzamide derivative 8
CID 118607347
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride (CID 45264009) is 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride is CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
The InChIKey is WVKCPLKPEHZAGR-KPVRICSOSA-N. The full InChI is InChI=1S/C17H23ClN2O.ClH/c1-20-12-4-11-17(20)10-3-2-5-15(17)19-16(21)13-6-8-14(18)9-7-13;/h6-9,15H,2-5,10-12H2,1H3,(H,19,21);1H/t15-,17+;/m0./s1.
What are the key properties of 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride?
4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride is sourced from PubChem (CID 45264009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).