[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C21H21Cl2N3O5 — CID 2417581

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21Cl2N3O5/c22-14-1-6-17(18(23)11-14)21(29)24-12-20(28)31-13-19(27)25-15-2-4-16(5-3-15)26-7-9-30-10-8-26/h1-6,11H,7-10,12-13H2,(H,24,29)(H,25,27)
InChIKeyHFRVXEVMZBAQTE-UHFFFAOYSA-N
MW466.32 g/mol
LogP2.74
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 2417581) has the molecular formula C21H21Cl2N3O5 and a molecular weight of 466.32 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID2417581
Molecular FormulaC21H21Cl2N3O5
Molecular Weight466.32 g/mol
Exact Mass465.09
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21Cl2N3O5/c22-14-1-6-17(18(23)11-14)21(29)24-12-20(28)31-13-19(27)25-15-2-4-16(5-3-15)26-7-9-30-10-8-26/h1-6,11H,7-10,12-13H2,(H,24,29)(H,25,27)
InChIKeyHFRVXEVMZBAQTE-UHFFFAOYSA-N
XLogP2.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 2417581) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is HFRVXEVMZBAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O5/c22-14-1-6-17(18(23)11-14)21(29)24-12-20(28)31-13-19(27)25-15-2-4-16(5-3-15)26-7-9-30-10-8-26/h1-6,11H,7-10,12-13H2,(H,24,29)(H,25,27).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 466.32 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2417581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).