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

C14H12N2O4 — CID 531843

IUPAC3-methoxy-N-(3-nitrophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O4/c1-20-13-7-2-4-10(8-13)14(17)15-11-5-3-6-12(9-11)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZPXMTBWLEIEEBP-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds4

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

3-methoxy-N-(3-nitrophenyl)benzamide (PubChem CID 531843) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-methoxy-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-nitrophenyl)benzamide
PubChem CID531843
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-methoxy-N-(3-nitrophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12N2O4/c1-20-13-7-2-4-10(8-13)14(17)15-11-5-3-6-12(9-11)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZPXMTBWLEIEEBP-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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Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
4'-Methoxy-3-nitrobenzanilide
CID 306529
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Ica-105574
CID 715924
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855
2-hydroxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 487737
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-nitrophenyl)benzamide?
The IUPAC name of 3-methoxy-N-(3-nitrophenyl)benzamide (CID 531843) is 3-methoxy-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-nitrophenyl)benzamide is COc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-methoxy-N-(3-nitrophenyl)benzamide?
The InChIKey is ZPXMTBWLEIEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-7-2-4-10(8-13)14(17)15-11-5-3-6-12(9-11)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of 3-methoxy-N-(3-nitrophenyl)benzamide?
3-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 3-methoxy-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 531843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).