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

C18H17Cl3N2O2 — CID 25314063

IUPAC2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-2-23(17(25)10-12-6-8-13(19)9-7-12)11-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyPLUZCHOVCHNMHU-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.68
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide (PubChem CID 25314063) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
PubChem CID25314063
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-2-23(17(25)10-12-6-8-13(19)9-7-12)11-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyPLUZCHOVCHNMHU-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
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-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 25314869
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide (CID 25314063) is 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide?
The InChIKey is PLUZCHOVCHNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-2-23(17(25)10-12-6-8-13(19)9-7-12)11-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide?
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide has a molecular weight of 399.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide is sourced from PubChem (CID 25314063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).