8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

C29H30Cl2N2O — CID 44574891

IUPAC8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
InChIKeyAXCDKMXPAYZRJH-UHFFFAOYSA-N
MW493.48 g/mol
LogP6.78
Rot. Bonds6

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

8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 44574891) has the molecular formula C29H30Cl2N2O and a molecular weight of 493.48 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID44574891
Molecular FormulaC29H30Cl2N2O
Molecular Weight493.48 g/mol
Exact Mass492.17
IUPAC Name8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
InChIKeyAXCDKMXPAYZRJH-UHFFFAOYSA-N
XLogP6.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[bis(2-chlorophenyl)methyl]-N-ethyl-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-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 44574891) is 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is AXCDKMXPAYZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34).
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 493.48 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 44574891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).