N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

C19H28Cl2N2O — CID 3075077

IUPACN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2;/h5-8,16-18H,3-4,9-13H2,1-2H3;1H
InChIKeyUQXPJXNKZRBETP-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.63
Rot. Bonds5

About N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (PubChem CID 3075077) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
PubChem CID3075077
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2;/h5-8,16-18H,3-4,9-13H2,1-2H3;1H
InChIKeyUQXPJXNKZRBETP-UHFFFAOYSA-N
XLogP4.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (CID 3075077) is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is CCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C.Cl.
What is the InChIKey of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The InChIKey is UQXPJXNKZRBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c1-3-4-11-22(19(23)14-5-7-15(20)8-6-14)18-12-16-9-10-17(13-18)21(16)2;/h5-8,16-18H,3-4,9-13H2,1-2H3;1H.
What are the key properties of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 3075077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).