N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C13H13Cl2N3O2 — CID 2263908

IUPACN-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13Cl2N3O2/c14-10-5-3-4-9(11(10)15)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyZFFSPQQWMXXAMB-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.07
Rot. Bonds2

About N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2263908) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2263908
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC NameN-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13Cl2N3O2/c14-10-5-3-4-9(11(10)15)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyZFFSPQQWMXXAMB-UHFFFAOYSA-N
XLogP2.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(E)-(3-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5335973
2-(azepan-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxoacetamide
CID 136764626
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 5341260
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 2244317
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2263908) is N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NN=Cc1cccc(Cl)c1Cl)C(=O)N1CCCC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZFFSPQQWMXXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-10-5-3-4-9(11(10)15)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19).
What are the key properties of N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 314.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2263908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).