N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide

C16H12Cl2N2O4 — CID 661913

IUPACN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide
SMILESO=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(8-12(11)18)19(16(23)13-2-1-7-24-13)9-20-14(21)5-6-15(20)22/h1-4,7-8H,5-6,9H2
InChIKeyVWLQGPYTNDBXTA-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.34
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide

N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 661913) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide
PubChem CID661913
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC NameN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide
SMILESO=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(8-12(11)18)19(16(23)13-2-1-7-24-13)9-20-14(21)5-6-15(20)22/h1-4,7-8H,5-6,9H2
InChIKeyVWLQGPYTNDBXTA-UHFFFAOYSA-N
XLogP3.34
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide (CID 661913) is N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide is O=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is VWLQGPYTNDBXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c17-11-4-3-10(8-12(11)18)19(16(23)13-2-1-7-24-13)9-20-14(21)5-6-15(20)22/h1-4,7-8H,5-6,9H2.
What are the key properties of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide?
N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 367.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 661913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).