N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide

C21H16N2O5 — CID 2912279

IUPACN-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)oc1ccccc12
InChIInChI=1S/C21H16N2O5/c1-12-9-13(7-8-17(12)23(25)26)21(24)22-16-11-19-15(10-20(16)27-2)14-5-3-4-6-18(14)28-19/h3-11H,1-2H3,(H,22,24)
InChIKeyKUEIXIAFCDTYAH-UHFFFAOYSA-N
MW376.37 g/mol
LogP5.06
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide

N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide (PubChem CID 2912279) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
PubChem CID2912279
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)oc1ccccc12
InChIInChI=1S/C21H16N2O5/c1-12-9-13(7-8-17(12)23(25)26)21(24)22-16-11-19-15(10-20(16)27-2)14-5-3-4-6-18(14)28-19/h3-11H,1-2H3,(H,22,24)
InChIKeyKUEIXIAFCDTYAH-UHFFFAOYSA-N
XLogP5.06
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826201
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3679313
methyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate
CID 30122648
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207510
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
CID 4824043

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide (CID 2912279) is N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide is COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide?
The InChIKey is KUEIXIAFCDTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-12-9-13(7-8-17(12)23(25)26)21(24)22-16-11-19-15(10-20(16)27-2)14-5-3-4-6-18(14)28-19/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide?
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide has a molecular weight of 376.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 2912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).