4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide

C15H14N2O4 — CID 710638

IUPAC4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C15H14N2O4/c1-10-3-6-12(17(19)20)9-14(10)16-15(18)11-4-7-13(21-2)8-5-11/h3-9H,1-2H3,(H,16,18)
InChIKeyWWUVNHPDEFIUQI-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.16
Rot. Bonds4

About 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide

4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 710638) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID710638
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C15H14N2O4/c1-10-3-6-12(17(19)20)9-14(10)16-15(18)11-4-7-13(21-2)8-5-11/h3-9H,1-2H3,(H,16,18)
InChIKeyWWUVNHPDEFIUQI-UHFFFAOYSA-N
XLogP3.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.16
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 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide (CID 710638) is 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is WWUVNHPDEFIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-3-6-12(17(19)20)9-14(10)16-15(18)11-4-7-13(21-2)8-5-11/h3-9H,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide?
4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 710638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).