N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide

C20H22Cl2N2O3 — CID 24553205

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
SMILESCCOc1ccc(CC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-3-24(13-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-14-8-10-15(11-9-14)27-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyCRXGLAOLESHJLQ-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.42
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide (PubChem CID 24553205) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
PubChem CID24553205
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
SMILESCCOc1ccc(CC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-3-24(13-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-14-8-10-15(11-9-14)27-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyCRXGLAOLESHJLQ-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 25314869
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25315310
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide (CID 24553205) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide is CCOc1ccc(CC(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
The InChIKey is CRXGLAOLESHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-3-24(13-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-14-8-10-15(11-9-14)27-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide has a molecular weight of 409.31 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 24553205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).