2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide

C15H17Cl2N3O4 — CID 3120249

IUPAC2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1
InChIInChI=1S/C15H17Cl2N3O4/c1-9(24-12-5-4-10(16)8-11(12)17)13(21)18-19-14(22)15(23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyPWUKWJMMJUHIRR-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.53
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide

2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide (PubChem CID 3120249) has the molecular formula C15H17Cl2N3O4 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide
PubChem CID3120249
Molecular FormulaC15H17Cl2N3O4
Molecular Weight374.22 g/mol
Exact Mass373.06
IUPAC Name2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1
InChIInChI=1S/C15H17Cl2N3O4/c1-9(24-12-5-4-10(16)8-11(12)17)13(21)18-19-14(22)15(23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyPWUKWJMMJUHIRR-UHFFFAOYSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide (CID 3120249) is 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide?
The InChIKey is PWUKWJMMJUHIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O4/c1-9(24-12-5-4-10(16)8-11(12)17)13(21)18-19-14(22)15(23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide?
2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide has a molecular weight of 374.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)propanehydrazide is sourced from PubChem (CID 3120249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).