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

C16H21ClN2O — CID 18931828

IUPAC3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCNC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C16H21ClN2O/c1-18-16(20)15-13(10-3-5-11(17)6-4-10)9-12-7-8-14(15)19(12)2/h3-6,12-15H,7-9H2,1-2H3,(H,18,20)
InChIKeyVVUBAWQWFHXQPO-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.65
Rot. Bonds2

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

3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 18931828) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID18931828
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCNC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C16H21ClN2O/c1-18-16(20)15-13(10-3-5-11(17)6-4-10)9-12-7-8-14(15)19(12)2/h3-6,12-15H,7-9H2,1-2H3,(H,18,20)
InChIKeyVVUBAWQWFHXQPO-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 18931828) is 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CNC(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is VVUBAWQWFHXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-18-16(20)15-13(10-3-5-11(17)6-4-10)9-12-7-8-14(15)19(12)2/h3-6,12-15H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 292.81 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 18931828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).