2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide

C18H22ClN3O2 — CID 109399583

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-18(24,12-22(2)3)11-21-17(23)14-10-13(7-8-15(14)19)16-6-4-5-9-20-16/h4-10,24H,11-12H2,1-3H3,(H,21,23)
InChIKeyXXWUWZALNNBFJL-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.44
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide (PubChem CID 109399583) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide
PubChem CID109399583
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-18(24,12-22(2)3)11-21-17(23)14-10-13(7-8-15(14)19)16-6-4-5-9-20-16/h4-10,24H,11-12H2,1-3H3,(H,21,23)
InChIKeyXXWUWZALNNBFJL-UHFFFAOYSA-N
XLogP2.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2991064
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-hexyl-nicotinamide
CID 10217166
2,4-dichloro-N-((1-(methylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11583046
2,4-dichloro-N-((1-(N,N-dimethylsulfamoyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11712529
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 11749459
N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 16026971
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methylpyridin-2-yl)benzamide
CID 18438690
2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45267968
4-[(2-chlorophenyl)methyl-(3-methylbutyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 49857730
4-[(2-chlorophenyl)methyl-(3-methylbut-2-enyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 49857913
4-[[(E)-but-2-enyl]-[(2-chlorophenyl)methyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 49857914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide (CID 109399583) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide is CN(C)CC(C)(O)CNC(=O)c1cc(-c2ccccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide?
The InChIKey is XXWUWZALNNBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-18(24,12-22(2)3)11-21-17(23)14-10-13(7-8-15(14)19)16-6-4-5-9-20-16/h4-10,24H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide has a molecular weight of 347.85 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 109399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).