N-(3,4-dimethoxyphenyl)-3-nitrobenzamide

C15H14N2O5 — CID 822743

IUPACN-(3,4-dimethoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C15H14N2O5/c1-21-13-7-6-11(9-14(13)22-2)16-15(18)10-4-3-5-12(8-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHOJSRIZTXFOCQL-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.86
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-nitrobenzamide

N-(3,4-dimethoxyphenyl)-3-nitrobenzamide (PubChem CID 822743) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-nitrobenzamide
PubChem CID822743
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-(3,4-dimethoxyphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C15H14N2O5/c1-21-13-7-6-11(9-14(13)22-2)16-15(18)10-4-3-5-12(8-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHOJSRIZTXFOCQL-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

N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
[4-[(3,4-dimethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 26364572
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
N-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]-3-nitrobenzamide
CID 9370616
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-nitrobenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-nitrobenzamide (CID 822743) is N-(3,4-dimethoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-nitrobenzamide?
The InChIKey is HOJSRIZTXFOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-13-7-6-11(9-14(13)22-2)16-15(18)10-4-3-5-12(8-10)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-nitrobenzamide?
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide 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 N-(3,4-dimethoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 822743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).