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

C19H28Cl2N2O — CID 43834093

IUPACN-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)[NH+]2C.[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
LogP-0.21
Rot. Bonds5

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

N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride (PubChem CID 43834093) 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-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride.

Molecular Properties

Compound NameN-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride
PubChem CID43834093
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC NameN-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)[NH+]2C.[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
XLogP-0.21
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 3075075
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
CID 62618347
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724
4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
4-chloro-N-[2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]ethyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566638
2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(5-hydroxypentyl)benzamide
CID 102566110
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride?
The IUPAC name of N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride (CID 43834093) is N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride.
What is the SMILES notation for N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride?
The canonical SMILES for N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride is CCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)[NH+]2C.[Cl-].
What is the InChIKey of N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride?
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-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride?
N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride has a molecular weight of 371.35 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)benzamide chloride is sourced from PubChem (CID 43834093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).