2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide

C19H16N2O4 — CID 7464409

IUPAC2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1
InChIInChI=1S/C19H16N2O4/c1-12-6-8-15(9-7-12)20-19(22)17-11-18(25-13(17)2)14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyHGTYJUAUQXBEED-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.72
Rot. Bonds4

About 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide

2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide (PubChem CID 7464409) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide
PubChem CID7464409
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1
InChIInChI=1S/C19H16N2O4/c1-12-6-8-15(9-7-12)20-19(22)17-11-18(25-13(17)2)14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyHGTYJUAUQXBEED-UHFFFAOYSA-N
XLogP4.72
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
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 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide (CID 7464409) is 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide?
The InChIKey is HGTYJUAUQXBEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12-6-8-15(9-7-12)20-19(22)17-11-18(25-13(17)2)14-4-3-5-16(10-14)21(23)24/h3-11H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide?
2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 7464409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).