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

C19H27Cl2N2O- — CID 53313297

IUPACN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride
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/p-1
InChIKeyUQXPJXNKZRBETP-UHFFFAOYSA-M
MW370.34 g/mol
LogP1.21
Rot. Bonds5

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

N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride (PubChem CID 53313297) has the molecular formula C19H27Cl2N2O- and a molecular weight of 370.34 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride
PubChem CID53313297
Molecular FormulaC19H27Cl2N2O-
Molecular Weight370.34 g/mol
Exact Mass369.15
IUPAC NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride
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/p-1
InChIKeyUQXPJXNKZRBETP-UHFFFAOYSA-M
XLogP1.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.21
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 chloride?
The IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride (CID 53313297) is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride.
What is the SMILES notation for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride?
The canonical SMILES for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride 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 chloride?
The InChIKey is UQXPJXNKZRBETP-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride?
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride has a molecular weight of 370.34 g/mol, XLogP of 1.21, 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 chloride is sourced from PubChem (CID 53313297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).