2-methoxy-N-(3-nitrophenyl)benzamide

C14H12N2O4 — CID 531918

IUPAC2-methoxy-N-(3-nitrophenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c1-20-13-8-3-2-7-12(13)14(17)15-10-5-4-6-11(9-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyJZUXINQGRPQHNI-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds4

About 2-methoxy-N-(3-nitrophenyl)benzamide

2-methoxy-N-(3-nitrophenyl)benzamide (PubChem CID 531918) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-methoxy-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-nitrophenyl)benzamide
PubChem CID531918
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-methoxy-N-(3-nitrophenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c1-20-13-8-3-2-7-12(13)14(17)15-10-5-4-6-11(9-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyJZUXINQGRPQHNI-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 2-methoxy-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-methoxy-N-(3-nitrophenyl)benzamide (CID 531918) is 2-methoxy-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(3-nitrophenyl)benzamide is COc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-(3-nitrophenyl)benzamide?
The InChIKey is JZUXINQGRPQHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-8-3-2-7-12(13)14(17)15-10-5-4-6-11(9-10)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of 2-methoxy-N-(3-nitrophenyl)benzamide?
2-methoxy-N-(3-nitrophenyl)benzamide 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 2-methoxy-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 531918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).