2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide

C16H16N2O6 — CID 38112763

IUPAC2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C16H16N2O6/c1-22-13-9-8-10(14(23-2)15(13)24-3)16(19)17-11-6-4-5-7-12(11)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyRXCFJBFSTUBUBF-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.87
Rot. Bonds6

About 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide

2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide (PubChem CID 38112763) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
PubChem CID38112763
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C16H16N2O6/c1-22-13-9-8-10(14(23-2)15(13)24-3)16(19)17-11-6-4-5-7-12(11)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyRXCFJBFSTUBUBF-UHFFFAOYSA-N
XLogP2.87
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2896473
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 110317070
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide (CID 38112763) is 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide?
The InChIKey is RXCFJBFSTUBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-13-9-8-10(14(23-2)15(13)24-3)16(19)17-11-6-4-5-7-12(11)18(20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide?
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide has a molecular weight of 332.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 38112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).