2,6-dimethyl-3-nitrobenzamide

C9H10N2O3 — CID 118992531

IUPAC2,6-dimethyl-3-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C)c1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-5-3-4-7(11(13)14)6(2)8(5)9(10)12/h3-4H,1-2H3,(H2,10,12)
InChIKeySQWKSDHADAFTLT-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.31
Rot. Bonds2

About 2,6-dimethyl-3-nitrobenzamide

2,6-dimethyl-3-nitrobenzamide (PubChem CID 118992531) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,6-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name2,6-dimethyl-3-nitrobenzamide
PubChem CID118992531
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2,6-dimethyl-3-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C)c1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-5-3-4-7(11(13)14)6(2)8(5)9(10)12/h3-4H,1-2H3,(H2,10,12)
InChIKeySQWKSDHADAFTLT-UHFFFAOYSA-N
XLogP1.31
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
ethane;4-methyl-3-nitrobenzamide
CID 143806264
sodium 2-carboxy-3-methyl-4-nitrophenolate
CID 57376467
2-chloro-1-(6-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 131480552
methyl 2,3-dimethyl-6-nitrobenzoate
CID 134648368
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 100921666
2-chloro-1-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
2-hydroxy-3-methyl-6-nitrobenzoic acid
CID 139330505
2,6-difluoro-3-nitrobenzamide
CID 2780101
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-nitrobenzamide?
The IUPAC name of 2,6-dimethyl-3-nitrobenzamide (CID 118992531) is 2,6-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 2,6-dimethyl-3-nitrobenzamide?
The canonical SMILES for 2,6-dimethyl-3-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C)c1C(N)=O.
What is the InChIKey of 2,6-dimethyl-3-nitrobenzamide?
The InChIKey is SQWKSDHADAFTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-3-4-7(11(13)14)6(2)8(5)9(10)12/h3-4H,1-2H3,(H2,10,12).
What are the key properties of 2,6-dimethyl-3-nitrobenzamide?
2,6-dimethyl-3-nitrobenzamide has a molecular weight of 194.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 118992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).