N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide

C21H24Cl2N2O4 — CID 31185288

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-4-9-25(13-20(26)24-17-7-6-15(22)12-16(17)23)21(27)11-14-5-8-18(28-2)19(10-14)29-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,24,26)
InChIKeyXTAVCFKURIZQRM-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.43
Rot. Bonds9

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide (PubChem CID 31185288) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
PubChem CID31185288
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-4-9-25(13-20(26)24-17-7-6-15(22)12-16(17)23)21(27)11-14-5-8-18(28-2)19(10-14)29-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,24,26)
InChIKeyXTAVCFKURIZQRM-UHFFFAOYSA-N
XLogP4.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide
CID 78872872
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylacetamide
CID 55486874
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide (CID 31185288) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide?
The InChIKey is XTAVCFKURIZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-4-9-25(13-20(26)24-17-7-6-15(22)12-16(17)23)21(27)11-14-5-8-18(28-2)19(10-14)29-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide has a molecular weight of 439.34 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide is sourced from PubChem (CID 31185288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).