3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide

C17H23ClN2O2 — CID 22896752

IUPAC3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCON(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C17H23ClN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3
InChIKeyKWHGMPGPUYLMAE-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide

3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 22896752) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID22896752
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCON(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C17H23ClN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3
InChIKeyKWHGMPGPUYLMAE-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 22896752) is 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CON(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is KWHGMPGPUYLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-19-13-8-9-15(19)16(17(21)20(2)22-3)14(10-13)11-4-6-12(18)7-5-11/h4-7,13-16H,8-10H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 22896752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).