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

C30H32Cl2N2O — CID 44574892

IUPAC8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35)
InChIKeyWSYZPVUHMNOUKM-UHFFFAOYSA-N
MW507.51 g/mol
LogP7.17
Rot. Bonds6

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

8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 44574892) has the molecular formula C30H32Cl2N2O and a molecular weight of 507.51 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID44574892
Molecular FormulaC30H32Cl2N2O
Molecular Weight507.51 g/mol
Exact Mass506.19
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35)
InChIKeyWSYZPVUHMNOUKM-UHFFFAOYSA-N
XLogP7.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 44574892) is 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide is CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is WSYZPVUHMNOUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35).
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-[bis(2-chlorophenyl)methyl]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 507.51 g/mol, XLogP of 7.17, 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]-3-phenyl-N-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 44574892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).