N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide

C20H21Cl2N3O3 — CID 2541844

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-3-25(20(28)11-14-4-9-17(21)18(22)10-14)12-19(27)24-16-7-5-15(6-8-16)23-13(2)26/h4-10H,3,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMWOPUGWCFZSPMR-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide (PubChem CID 2541844) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide
PubChem CID2541844
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O3/c1-3-25(20(28)11-14-4-9-17(21)18(22)10-14)12-19(27)24-16-7-5-15(6-8-16)23-13(2)26/h4-10H,3,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMWOPUGWCFZSPMR-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide (CID 2541844) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide?
The InChIKey is MWOPUGWCFZSPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-3-25(20(28)11-14-4-9-17(21)18(22)10-14)12-19(27)24-16-7-5-15(6-8-16)23-13(2)26/h4-10H,3,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide has a molecular weight of 422.31 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-ethylacetamide is sourced from PubChem (CID 2541844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).