N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide

C18H20ClNO2 — CID 112778951

IUPACN-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-15-6-4-5-7-17(15)22-13-18(21)20(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyXUGYJQGKJJPGNL-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide

N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide (PubChem CID 112778951) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
PubChem CID112778951
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-15-6-4-5-7-17(15)22-13-18(21)20(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyXUGYJQGKJJPGNL-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7867334
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 78810702
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 7936316
N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
CID 78853919
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide (CID 112778951) is N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide is CCc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide?
The InChIKey is XUGYJQGKJJPGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-15-6-4-5-7-17(15)22-13-18(21)20(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide?
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide has a molecular weight of 317.82 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 112778951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).