N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide

C21H24Cl2N2O3 — CID 31713240

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
SMILESCCOc1ccccc1CCC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl2N2O3/c1-3-25(14-19(26)24-21-16(22)9-7-10-17(21)23)20(27)13-12-15-8-5-6-11-18(15)28-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,24,26)
InChIKeyLEIGFLLMDTWEAT-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.81
Rot. Bonds9

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide (PubChem CID 31713240) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
PubChem CID31713240
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
SMILESCCOc1ccccc1CCC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl2N2O3/c1-3-25(14-19(26)24-21-16(22)9-7-10-17(21)23)20(27)13-12-15-8-5-6-11-18(15)28-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,24,26)
InChIKeyLEIGFLLMDTWEAT-UHFFFAOYSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide (CID 31713240) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide is CCOc1ccccc1CCC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide?
The InChIKey is LEIGFLLMDTWEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-3-25(14-19(26)24-21-16(22)9-7-10-17(21)23)20(27)13-12-15-8-5-6-11-18(15)28-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide has a molecular weight of 423.34 g/mol, XLogP of 4.81, 9 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]-3-(2-ethoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 31713240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).