4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

C17H18ClNO3 — CID 109416264

IUPAC4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(21)12-7-9-13(10-8-12)22-11-16(20)14-5-3-4-6-15(14)18/h3-10,16,20H,11H2,1-2H3
InChIKeyGRRASTIREFBZAL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (PubChem CID 109416264) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
PubChem CID109416264
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(21)12-7-9-13(10-8-12)22-11-16(20)14-5-3-4-6-15(14)18/h3-10,16,20H,11H2,1-2H3
InChIKeyGRRASTIREFBZAL-UHFFFAOYSA-N
XLogP3.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416261
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
4-[[[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111998623
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
CID 109414638
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
5-[[4-[2-(2-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]thiolane-2,4-dione
CID 71100604
N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
CID 109416721

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (CID 109416264) is 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCC(O)c2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The InChIKey is GRRASTIREFBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(2)17(21)12-7-9-13(10-8-12)22-11-16(20)14-5-3-4-6-15(14)18/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 109416264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).