N-(2-methoxyphenyl)-2-nitrobenzamide

C14H12N2O4 — CID 710770

IUPACN-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-20-13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyWIHYBOCTPLSXPP-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds4

About N-(2-methoxyphenyl)-2-nitrobenzamide

N-(2-methoxyphenyl)-2-nitrobenzamide (PubChem CID 710770) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-nitrobenzamide
PubChem CID710770
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-20-13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyWIHYBOCTPLSXPP-UHFFFAOYSA-N
XLogP2.86
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
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 N-(2-methoxyphenyl)-2-nitrobenzamide?
The IUPAC name of N-(2-methoxyphenyl)-2-nitrobenzamide (CID 710770) is N-(2-methoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-nitrobenzamide is COc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-2-nitrobenzamide?
The InChIKey is WIHYBOCTPLSXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-(2-methoxyphenyl)-2-nitrobenzamide?
N-(2-methoxyphenyl)-2-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 710770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).