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

C15H14N2O5 — CID 871212

IUPAC4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C15H14N2O5/c1-21-12-6-3-10(4-7-12)15(18)16-13-9-11(17(19)20)5-8-14(13)22-2/h3-9H,1-2H3,(H,16,18)
InChIKeyZHLGWUFRFMJHBU-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.86
Rot. Bonds5

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

4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 871212) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID871212
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C15H14N2O5/c1-21-12-6-3-10(4-7-12)15(18)16-13-9-11(17(19)20)5-8-14(13)22-2/h3-9H,1-2H3,(H,16,18)
InChIKeyZHLGWUFRFMJHBU-UHFFFAOYSA-N
XLogP2.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 92664189
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510158
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide (CID 871212) is 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is ZHLGWUFRFMJHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-12-6-3-10(4-7-12)15(18)16-13-9-11(17(19)20)5-8-14(13)22-2/h3-9H,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide?
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 302.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 871212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).