5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide

C12H17ClN2O2 — CID 63700387

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O2/c1-14(2)6-7-15(3)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,6-7H2,1-3H3
InChIKeyAOTMXDGUORZING-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.68
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide

5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide (PubChem CID 63700387) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
PubChem CID63700387
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H17ClN2O2/c1-14(2)6-7-15(3)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,6-7H2,1-3H3
InChIKeyAOTMXDGUORZING-UHFFFAOYSA-N
XLogP1.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide (CID 63700387) is 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is AOTMXDGUORZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-14(2)6-7-15(3)12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide?
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 63700387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).