N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide

C17H16N2O4 — CID 47079685

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C17H16N2O4/c20-17(15-9-10-16(23-15)19(21)22)18(12-6-7-12)14-8-5-11-3-1-2-4-13(11)14/h1-4,9-10,12,14H,5-8H2
InChIKeyQGPNAFJMQAHPPT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.48
Rot. Bonds4

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide (PubChem CID 47079685) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
PubChem CID47079685
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C17H16N2O4/c20-17(15-9-10-16(23-15)19(21)22)18(12-6-7-12)14-8-5-11-3-1-2-4-13(11)14/h1-4,9-10,12,14H,5-8H2
InChIKeyQGPNAFJMQAHPPT-UHFFFAOYSA-N
XLogP3.48
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide (CID 47079685) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide is O=C(c1ccc([N+](=O)[O-])o1)N(C1CC1)C1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is QGPNAFJMQAHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-17(15-9-10-16(23-15)19(21)22)18(12-6-7-12)14-8-5-11-3-1-2-4-13(11)14/h1-4,9-10,12,14H,5-8H2.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 47079685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).