N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide

C20H11N3O7 — CID 1359427

IUPACN-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O
InChIInChI=1S/C20H11N3O7/c24-17(11-3-1-4-13(9-11)23(28)29)12-6-7-14-15(10-12)20(27)22(19(14)26)21-18(25)16-5-2-8-30-16/h1-10H,(H,21,25)
InChIKeyZDGKBSJNCPOQEI-UHFFFAOYSA-N
MW405.32 g/mol
LogP2.36
Rot. Bonds5

About N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide

N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide (PubChem CID 1359427) has the molecular formula C20H11N3O7 and a molecular weight of 405.32 g/mol. Its IUPAC name is N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
PubChem CID1359427
Molecular FormulaC20H11N3O7
Molecular Weight405.32 g/mol
Exact Mass405.06
IUPAC NameN-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O
InChIInChI=1S/C20H11N3O7/c24-17(11-3-1-4-13(9-11)23(28)29)12-6-7-14-15(10-12)20(27)22(19(14)26)21-18(25)16-5-2-8-30-16/h1-10H,(H,21,25)
InChIKeyZDGKBSJNCPOQEI-UHFFFAOYSA-N
XLogP2.36
TPSA139.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide (CID 1359427) is N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide is O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O.
What is the InChIKey of N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The InChIKey is ZDGKBSJNCPOQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O7/c24-17(11-3-1-4-13(9-11)23(28)29)12-6-7-14-15(10-12)20(27)22(19(14)26)21-18(25)16-5-2-8-30-16/h1-10H,(H,21,25).
What are the key properties of N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide has a molecular weight of 405.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1359427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).