2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C17H17Cl2NO2 — CID 112774399

IUPAC2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12-3-5-13(6-4-12)10-20(2)17(21)11-22-16-9-14(18)7-8-15(16)19/h3-9H,10-11H2,1-2H3
InChIKeyNJDXEPREFFOYQP-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.34
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 112774399) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID112774399
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12-3-5-13(6-4-12)10-20(2)17(21)11-22-16-9-14(18)7-8-15(16)19/h3-9H,10-11H2,1-2H3
InChIKeyNJDXEPREFFOYQP-UHFFFAOYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7764973
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
2-[[2-(2,5-dichlorophenoxy)acetyl]-methylamino]propanoic acid
CID 62626399
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 112774399) is 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NJDXEPREFFOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-12-3-5-13(6-4-12)10-20(2)17(21)11-22-16-9-14(18)7-8-15(16)19/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 338.23 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112774399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).