[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate

C19H18Cl2N2O5 — CID 23764450

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O5/c1-11(28-17-8-3-13(20)9-16(17)21)19(26)27-10-18(25)23-15-6-4-14(5-7-15)22-12(2)24/h3-9,11H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQTQIUUOWHGAOSZ-UHFFFAOYSA-N
MW425.27 g/mol
LogP3.90
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate (PubChem CID 23764450) has the molecular formula C19H18Cl2N2O5 and a molecular weight of 425.27 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
PubChem CID23764450
Molecular FormulaC19H18Cl2N2O5
Molecular Weight425.27 g/mol
Exact Mass424.06
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O5/c1-11(28-17-8-3-13(20)9-16(17)21)19(26)27-10-18(25)23-15-6-4-14(5-7-15)22-12(2)24/h3-9,11H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQTQIUUOWHGAOSZ-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(3,4-difluoroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872964
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872831
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
[2-(3-methylsulfanylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7873004
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-(2,6-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872971
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate (CID 23764450) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is QTQIUUOWHGAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O5/c1-11(28-17-8-3-13(20)9-16(17)21)19(26)27-10-18(25)23-15-6-4-14(5-7-15)22-12(2)24/h3-9,11H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 425.27 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 23764450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).