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

C20H22Cl2N2O4 — CID 25314869

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-24(12-18(25)23-20-15(21)6-5-7-16(20)22)19(26)10-13-8-9-14(27-2)11-17(13)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,23,25)
InChIKeyVBEGKTRGLRCPOA-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.04
Rot. Bonds8

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

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide (PubChem CID 25314869) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
PubChem CID25314869
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-24(12-18(25)23-20-15(21)6-5-7-16(20)22)19(26)10-13-8-9-14(27-2)11-17(13)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,23,25)
InChIKeyVBEGKTRGLRCPOA-UHFFFAOYSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
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
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174647
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
CID 110769985
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
CID 46490871

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide (CID 25314869) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1OC.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide?
The InChIKey is VBEGKTRGLRCPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-4-24(12-18(25)23-20-15(21)6-5-7-16(20)22)19(26)10-13-8-9-14(27-2)11-17(13)28-3/h5-9,11H,4,10,12H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide has a molecular weight of 425.31 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 25314869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).