8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

C28H29ClN2O — CID 71196947

IUPAC8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(C(N)=O)(c1ccccc1)C2
InChIInChI=1S/C28H29ClN2O/c1-19-9-5-6-12-23(19)26(24-13-7-8-14-25(24)29)31-21-15-16-22(31)18-28(17-21,27(30)32)20-10-3-2-4-11-20/h2-14,21-22,26H,15-18H2,1H3,(H2,30,32)
InChIKeyLNZYHCTXVXUIQW-UHFFFAOYSA-N
MW445.01 g/mol
LogP5.79
Rot. Bonds5

About 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 71196947) has the molecular formula C28H29ClN2O and a molecular weight of 445.01 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID71196947
Molecular FormulaC28H29ClN2O
Molecular Weight445.01 g/mol
Exact Mass444.20
IUPAC Name8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(C(N)=O)(c1ccccc1)C2
InChIInChI=1S/C28H29ClN2O/c1-19-9-5-6-12-23(19)26(24-13-7-8-14-25(24)29)31-21-15-16-22(31)18-28(17-21,27(30)32)20-10-3-2-4-11-20/h2-14,21-22,26H,15-18H2,1H3,(H2,30,32)
InChIKeyLNZYHCTXVXUIQW-UHFFFAOYSA-N
XLogP5.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.01
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 71196947) is 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is Cc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(C(N)=O)(c1ccccc1)C2.
What is the InChIKey of 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is LNZYHCTXVXUIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O/c1-19-9-5-6-12-23(19)26(24-13-7-8-14-25(24)29)31-21-15-16-22(31)18-28(17-21,27(30)32)20-10-3-2-4-11-20/h2-14,21-22,26H,15-18H2,1H3,(H2,30,32).
What are the key properties of 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 445.01 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 71196947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).