N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide

C19H11N3O7 — CID 1363902

IUPACN-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
SMILESO=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccco1
InChIInChI=1S/C19H11N3O7/c23-17(16-2-1-9-28-16)20-21-18(24)14-8-7-13(10-15(14)19(21)25)29-12-5-3-11(4-6-12)22(26)27/h1-10H,(H,20,23)
InChIKeyCWYXRPSIDVZJSI-UHFFFAOYSA-N
MW393.31 g/mol
LogP2.92
Rot. Bonds5

About N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide

N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide (PubChem CID 1363902) has the molecular formula C19H11N3O7 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
PubChem CID1363902
Molecular FormulaC19H11N3O7
Molecular Weight393.31 g/mol
Exact Mass393.06
IUPAC NameN-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide
SMILESO=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccco1
InChIInChI=1S/C19H11N3O7/c23-17(16-2-1-9-28-16)20-21-18(24)14-8-7-13(10-15(14)19(21)25)29-12-5-3-11(4-6-12)22(26)27/h1-10H,(H,20,23)
InChIKeyCWYXRPSIDVZJSI-UHFFFAOYSA-N
XLogP2.92
TPSA131.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 52.92
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-(4-nitrophenoxy)-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-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide (CID 1363902) is N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide is O=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccco1.
What is the InChIKey of N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
The InChIKey is CWYXRPSIDVZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O7/c23-17(16-2-1-9-28-16)20-21-18(24)14-8-7-13(10-15(14)19(21)25)29-12-5-3-11(4-6-12)22(26)27/h1-10H,(H,20,23).
What are the key properties of N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide?
N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1363902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).