N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide

C21H24Cl2N2O3 — CID 52892061

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-3-11-25(14-20(26)24-19-13-16(22)7-10-18(19)23)21(27)12-15-5-8-17(9-6-15)28-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)
InChIKeyWDAXWHOTTVRTSD-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.81
Rot. Bonds9

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide (PubChem CID 52892061) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
PubChem CID52892061
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-3-11-25(14-20(26)24-19-13-16(22)7-10-18(19)23)21(27)12-15-5-8-17(9-6-15)28-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)
InChIKeyWDAXWHOTTVRTSD-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-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylacetamide
CID 55486874
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-(2,5-dichlorophenyl)-2-[[2-(3-fluorophenoxy)acetyl]-propylamino]acetamide
CID 2709227
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide (CID 52892061) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(OCC)cc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide?
The InChIKey is WDAXWHOTTVRTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-3-11-25(14-20(26)24-19-13-16(22)7-10-18(19)23)21(27)12-15-5-8-17(9-6-15)28-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide 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-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide is sourced from PubChem (CID 52892061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).