3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

C17H22Cl2N2O — CID 14548209

IUPAC3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O/c1-21-10-4-9-17(21)8-3-2-5-15(17)20-16(22)12-6-7-13(18)14(19)11-12/h6-7,11,15H,2-5,8-10H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyCWQFCYGEJDNLMH-DOTOQJQBSA-N
MW341.28 g/mol
LogP4.13
Rot. Bonds2

About 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (PubChem CID 14548209) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
PubChem CID14548209
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O/c1-21-10-4-9-17(21)8-3-2-5-15(17)20-16(22)12-6-7-13(18)14(19)11-12/h6-7,11,15H,2-5,8-10H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyCWQFCYGEJDNLMH-DOTOQJQBSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide with MolForge

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Related Compounds

U-47700
CID 71719125
rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
Dnk 333
CID 9939040
Jnj-63533054
CID 2548547
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
PF-184298
CID 11392888
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
(-)-U-50488 Hydrochloride
CID 9931141

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (CID 14548209) is 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The InChIKey is CWQFCYGEJDNLMH-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c1-21-10-4-9-17(21)8-3-2-5-15(17)20-16(22)12-6-7-13(18)14(19)11-12/h6-7,11,15H,2-5,8-10H2,1H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide has a molecular weight of 341.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is sourced from PubChem (CID 14548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).