N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C13H13ClFN3O2 — CID 4262582

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyJMJVBVCDGNTWON-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.55
Rot. Bonds2

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 4262582) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID4262582
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)
InChIKeyJMJVBVCDGNTWON-UHFFFAOYSA-N
XLogP1.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 4262582) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NN=Cc1c(F)cccc1Cl)C(=O)N1CCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is JMJVBVCDGNTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)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-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 297.72 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4262582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).