2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide

C25H30Cl2N2O — CID 168974025

IUPAC2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC3(CC2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H30Cl2N2O/c1-18-2-4-19(5-3-18)15-28-24(30)21-8-10-25(11-9-21)12-13-29(17-25)16-20-6-7-22(26)23(27)14-20/h2-7,14,21H,8-13,15-17H2,1H3,(H,28,30)
InChIKeyCFTPKEYKVJCNPZ-UHFFFAOYSA-N
MW445.43 g/mol
LogP6.00
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide

2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide (PubChem CID 168974025) has the molecular formula C25H30Cl2N2O and a molecular weight of 445.43 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
PubChem CID168974025
Molecular FormulaC25H30Cl2N2O
Molecular Weight445.43 g/mol
Exact Mass444.17
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC3(CC2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H30Cl2N2O/c1-18-2-4-19(5-3-18)15-28-24(30)21-8-10-25(11-9-21)12-13-29(17-25)16-20-6-7-22(26)23(27)14-20/h2-7,14,21H,8-13,15-17H2,1H3,(H,28,30)
InChIKeyCFTPKEYKVJCNPZ-UHFFFAOYSA-N
XLogP6.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
CID 1485113
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917722
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide (CID 168974025) is 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide is Cc1ccc(CNC(=O)C2CCC3(CC2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)cc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CFTPKEYKVJCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O/c1-18-2-4-19(5-3-18)15-28-24(30)21-8-10-25(11-9-21)12-13-29(17-25)16-20-6-7-22(26)23(27)14-20/h2-7,14,21H,8-13,15-17H2,1H3,(H,28,30).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide?
2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 168974025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).