5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide

C19H16N2O5 — CID 7465117

IUPAC5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-12-5-3-4-6-15(12)20-19(22)18-10-9-17(26-18)14-8-7-13(25-2)11-16(14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyZYCHQLZCTBIGLL-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.42
Rot. Bonds5

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

5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide (PubChem CID 7465117) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
PubChem CID7465117
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-12-5-3-4-6-15(12)20-19(22)18-10-9-17(26-18)14-8-7-13(25-2)11-16(14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyZYCHQLZCTBIGLL-UHFFFAOYSA-N
XLogP4.42
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.42
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-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
N-(6-chloro-2-phenylbenzotriazol-5-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220321
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840707
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide (CID 7465117) is 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide?
The InChIKey is ZYCHQLZCTBIGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-5-3-4-6-15(12)20-19(22)18-10-9-17(26-18)14-8-7-13(25-2)11-16(14)21(23)24/h3-11H,1-2H3,(H,20,22).
What are the key properties of 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide?
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 7465117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).