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

C17H23ClN2O — CID 22896753

IUPAC3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCN(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C17H23ClN2O/c1-19(2)17(21)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)20(13)3/h4-7,13-16H,8-10H2,1-3H3
InChIKeyCNOYGCOPXSTHED-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.99
Rot. Bonds2

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

3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 22896753) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID22896753
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCN(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C17H23ClN2O/c1-19(2)17(21)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)20(13)3/h4-7,13-16H,8-10H2,1-3H3
InChIKeyCNOYGCOPXSTHED-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 22896753) is 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CN(C)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is CNOYGCOPXSTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-19(2)17(21)16-14(11-4-6-12(18)7-5-11)10-13-8-9-15(16)20(13)3/h4-7,13-16H,8-10H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 22896753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).