2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide

C19H21Cl2NO4 — CID 99993644

IUPAC2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO4/c1-3-24-17-7-5-13(9-18(17)25-4-2)11-22-19(23)12-26-16-8-6-14(20)10-15(16)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyDFIUKYJCXIGBNA-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.49
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide (PubChem CID 99993644) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
PubChem CID99993644
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO4/c1-3-24-17-7-5-13(9-18(17)25-4-2)11-22-19(23)12-26-16-8-6-14(20)10-15(16)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyDFIUKYJCXIGBNA-UHFFFAOYSA-N
XLogP4.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(3,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 55660605
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide (CID 99993644) is 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1OCC.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The InChIKey is DFIUKYJCXIGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-3-24-17-7-5-13(9-18(17)25-4-2)11-22-19(23)12-26-16-8-6-14(20)10-15(16)21/h5-10H,3-4,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide has a molecular weight of 398.29 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 99993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).