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

C19H27ClN2O — CID 22896754

IUPAC3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3
InChIKeyHVKNYGIHMRFIPC-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.77
Rot. Bonds4

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

3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 22896754) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID22896754
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3
InChIKeyHVKNYGIHMRFIPC-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide with MolForge

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Related Compounds

4XC2A2Npz2
CID 9910220
3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896752
1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 44381232
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
3-(4-chlorophenyl)-N-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896750
(3S,5R)-3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 44295882
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-pyrrolidin-1-yl-methanone
CID 44295887
2-(4-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392105
(3R,5S)-5-[2-(2-chlorophenyl)ethynyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44564589
5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
CID 12012177
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid amide
CID 9944706

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 22896754) is 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is HVKNYGIHMRFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.77, 4 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-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 22896754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).