3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide

C18H20ClNO3 — CID 109416258

IUPAC3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12-7-8-14(18(22)20(2)3)10-17(12)23-11-16(21)13-5-4-6-15(19)9-13/h4-10,16,21H,11H2,1-3H3
InChIKeyLIVWASZISASTNG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.46
Rot. Bonds5

About 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide

3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide (PubChem CID 109416258) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
PubChem CID109416258
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12-7-8-14(18(22)20(2)3)10-17(12)23-11-16(21)13-5-4-6-15(19)9-13/h4-10,16,21H,11H2,1-3H3
InChIKeyLIVWASZISASTNG-UHFFFAOYSA-N
XLogP3.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416246
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
3-[2-hydroxy-2-(4-methylphenyl)ethoxy]-4-methylbenzamide
CID 109416412
[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
CID 102598448
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
CID 109416427
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
2-(2-bromo-4-chlorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 112725152
4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416264

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide (CID 109416258) is 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1OCC(O)c1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
The InChIKey is LIVWASZISASTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-7-8-14(18(22)20(2)3)10-17(12)23-11-16(21)13-5-4-6-15(19)9-13/h4-10,16,21H,11H2,1-3H3.
What are the key properties of 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide?
3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 109416258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).