N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C17H15Cl2N3O3 — CID 5349197

IUPACN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCC1
InChIInChI=1S/C17H15Cl2N3O3/c18-13-5-3-11(9-14(13)19)15-6-4-12(25-15)10-20-21-16(23)17(24)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23)/b20-10-
InChIKeyYXPDFAFPZIGYMO-JMIUGGIZSA-N
MW380.23 g/mol
LogP3.33
Rot. Bonds3

About N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 5349197) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID5349197
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCC1
InChIInChI=1S/C17H15Cl2N3O3/c18-13-5-3-11(9-14(13)19)15-6-4-12(25-15)10-20-21-16(23)17(24)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23)/b20-10-
InChIKeyYXPDFAFPZIGYMO-JMIUGGIZSA-N
XLogP3.33
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 5349197) is N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCC1.
What is the InChIKey of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is YXPDFAFPZIGYMO-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-13-5-3-11(9-14(13)19)15-6-4-12(25-15)10-20-21-16(23)17(24)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,21,23)/b20-10-.
What are the key properties of N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 380.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 5349197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).