N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide

C19H25ClN2O — CID 2837546

IUPACN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1=CC2CCC(C1)N2C
InChIInChI=1S/C19H25ClN2O/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/h5-8,12,16-17H,3-4,9-11,13H2,1-2H3
InChIKeyFETLJBXPGXXLIH-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.33
Rot. Bonds5

About N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide

N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide (PubChem CID 2837546) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
PubChem CID2837546
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1=CC2CCC(C1)N2C
InChIInChI=1S/C19H25ClN2O/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/h5-8,12,16-17H,3-4,9-11,13H2,1-2H3
InChIKeyFETLJBXPGXXLIH-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
CID 51005782
N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
CID 11726191
(E)-N-butyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-3-phenylprop-2-enamide
CID 50938190
4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide
CID 1114031
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide chloride
CID 53313297
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
CID 2870037
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydron;chloride
CID 651163
N-butyl-4-fluoro-N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-2-en-3-yl]benzamide
CID 7037973
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 3075075
N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride
CID 43834093
3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
CID 62618347
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide (CID 2837546) is N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide.
What is the SMILES notation for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The canonical SMILES for N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide is CCCCN(C(=O)c1ccc(Cl)cc1)C1=CC2CCC(C1)N2C.
What is the InChIKey of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The InChIKey is FETLJBXPGXXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/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/h5-8,12,16-17H,3-4,9-11,13H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide has a molecular weight of 332.88 g/mol, XLogP of 4.33, 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]oct-2-en-3-yl)benzamide is sourced from PubChem (CID 2837546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).