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

C19H28ClFN2O — CID 3075075

IUPACN-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(F)cc1)C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C19H27FN2O.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
InChIKeyCHKGYYXPIJSDEG-UHFFFAOYSA-N
MW354.90 g/mol
LogP4.11
Rot. Bonds5

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

N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (PubChem CID 3075075) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
PubChem CID3075075
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC NameN-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(F)cc1)C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C19H27FN2O.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
InChIKeyCHKGYYXPIJSDEG-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride
CID 53313297
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126476335
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 6968265
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 24835778
N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride
CID 43834093
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 2056963
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The IUPAC name of N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (CID 3075075) is N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is CCCCN(C(=O)c1ccc(F)cc1)C1CC2CCC(C1)N2C.Cl.
What is the InChIKey of N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
The InChIKey is CHKGYYXPIJSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O.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-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 3075075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).