2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide

C18H24Cl2N2O — CID 14548227

IUPAC2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N2O/c1-22-10-4-9-18(22)8-3-2-5-16(18)21-17(23)12-13-6-7-14(19)15(20)11-13/h6-7,11,16H,2-5,8-10,12H2,1H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyACJWWDOSBNCLFC-FUHWJXTLSA-N
MW355.31 g/mol
LogP4.06
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide

2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide (PubChem CID 14548227) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide
PubChem CID14548227
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N2O/c1-22-10-4-9-18(22)8-3-2-5-16(18)21-17(23)12-13-6-7-14(19)15(20)11-13/h6-7,11,16H,2-5,8-10,12H2,1H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyACJWWDOSBNCLFC-FUHWJXTLSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide (CID 14548227) is 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide is CN1CCC[C@@]12CCCC[C@@H]2NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide?
The InChIKey is ACJWWDOSBNCLFC-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-22-10-4-9-18(22)8-3-2-5-16(18)21-17(23)12-13-6-7-14(19)15(20)11-13/h6-7,11,16H,2-5,8-10,12H2,1H3,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide has a molecular weight of 355.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide is sourced from PubChem (CID 14548227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).