4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide

C16H16N2O6 — CID 775341

IUPAC4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O6/c1-22-13-7-5-4-6-11(13)17-16(19)10-8-14(23-2)15(24-3)9-12(10)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyBJBHMYPRZCQSMI-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.87
Rot. Bonds6

About 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide

4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide (PubChem CID 775341) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide
PubChem CID775341
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O6/c1-22-13-7-5-4-6-11(13)17-16(19)10-8-14(23-2)15(24-3)9-12(10)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyBJBHMYPRZCQSMI-UHFFFAOYSA-N
XLogP2.87
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide?
The IUPAC name of 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide (CID 775341) is 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide is COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide?
The InChIKey is BJBHMYPRZCQSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-13-7-5-4-6-11(13)17-16(19)10-8-14(23-2)15(24-3)9-12(10)18(20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide?
4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide has a molecular weight of 332.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 775341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).