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

C18H19ClN2O3 — CID 7867334

IUPAC2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)20-16-5-3-4-6-17(16)24-12-18(23)21(2)11-14-7-9-15(19)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDKNFSRFMLNJOJM-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.34
Rot. Bonds6

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

2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 7867334) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID7867334
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)20-16-5-3-4-6-17(16)24-12-18(23)21(2)11-14-7-9-15(19)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDKNFSRFMLNJOJM-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112795602

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 7867334) is 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is DKNFSRFMLNJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)20-16-5-3-4-6-17(16)24-12-18(23)21(2)11-14-7-9-15(19)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 346.81 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7867334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).