2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide

C13H12N2O4 — CID 1244137

IUPAC2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H12N2O4/c1-8-11(4-3-5-12(8)15(17)18)14-13(16)10-6-7-19-9(10)2/h3-7H,1-2H3,(H,14,16)
InChIKeyUKCSXYDTLJQIIT-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.06
Rot. Bonds3

About 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide

2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide (PubChem CID 1244137) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide
PubChem CID1244137
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H12N2O4/c1-8-11(4-3-5-12(8)15(17)18)14-13(16)10-6-7-19-9(10)2/h3-7H,1-2H3,(H,14,16)
InChIKeyUKCSXYDTLJQIIT-UHFFFAOYSA-N
XLogP3.06
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.06
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-(2-methyl-3-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide (CID 1244137) is 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide?
The InChIKey is UKCSXYDTLJQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-11(4-3-5-12(8)15(17)18)14-13(16)10-6-7-19-9(10)2/h3-7H,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide?
2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 1244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).