3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide

C18H24Cl2N2O — CID 70450274

IUPAC3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
SMILESCc1c(C(=O)NC2CCN(C)C23CCCCC3)ccc(Cl)c1Cl
InChIInChI=1S/C18H24Cl2N2O/c1-12-13(6-7-14(19)16(12)20)17(23)21-15-8-11-22(2)18(15)9-4-3-5-10-18/h6-7,15H,3-5,8-11H2,1-2H3,(H,21,23)
InChIKeyUWMSFRQLLHNPJG-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.44
Rot. Bonds2

About 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide

3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide (PubChem CID 70450274) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
PubChem CID70450274
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
SMILESCc1c(C(=O)NC2CCN(C)C23CCCCC3)ccc(Cl)c1Cl
InChIInChI=1S/C18H24Cl2N2O/c1-12-13(6-7-14(19)16(12)20)17(23)21-15-8-11-22(2)18(15)9-4-3-5-10-18/h6-7,15H,3-5,8-11H2,1-2H3,(H,21,23)
InChIKeyUWMSFRQLLHNPJG-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide?
The IUPAC name of 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide (CID 70450274) is 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide?
The canonical SMILES for 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide is Cc1c(C(=O)NC2CCN(C)C23CCCCC3)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide?
The InChIKey is UWMSFRQLLHNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-12-13(6-7-14(19)16(12)20)17(23)21-15-8-11-22(2)18(15)9-4-3-5-10-18/h6-7,15H,3-5,8-11H2,1-2H3,(H,21,23).
What are the key properties of 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide?
3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide has a molecular weight of 355.31 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide is sourced from PubChem (CID 70450274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).