4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

C16H17ClN2O3 — CID 86795441

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-19(8-9-20)16(21)12-2-6-15(7-3-12)22-11-14-5-4-13(17)10-18-14/h2-7,10,20H,8-9,11H2,1H3
InChIKeyVGDBSPVGBRHFKE-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.38
Rot. Bonds6

About 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide

4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 86795441) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID86795441
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(OCc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-19(8-9-20)16(21)12-2-6-15(7-3-12)22-11-14-5-4-13(17)10-18-14/h2-7,10,20H,8-9,11H2,1H3
InChIKeyVGDBSPVGBRHFKE-UHFFFAOYSA-N
XLogP2.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466309
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466308
4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 56792709
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzamide
CID 53055730
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide (CID 86795441) is 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(OCc2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is VGDBSPVGBRHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-19(8-9-20)16(21)12-2-6-15(7-3-12)22-11-14-5-4-13(17)10-18-14/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 320.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 86795441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).