2,5-dimethyl-3-nitrobenzamide

C9H10N2O3 — CID 119008464

IUPAC2,5-dimethyl-3-nitrobenzamide
SMILESCc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-5-3-7(9(10)12)6(2)8(4-5)11(13)14/h3-4H,1-2H3,(H2,10,12)
InChIKeyYBZCVKGZCZBJGG-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.31
Rot. Bonds2

About 2,5-dimethyl-3-nitrobenzamide

2,5-dimethyl-3-nitrobenzamide (PubChem CID 119008464) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,5-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name2,5-dimethyl-3-nitrobenzamide
PubChem CID119008464
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2,5-dimethyl-3-nitrobenzamide
SMILESCc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-5-3-7(9(10)12)6(2)8(4-5)11(13)14/h3-4H,1-2H3,(H2,10,12)
InChIKeyYBZCVKGZCZBJGG-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

2,5-dimethyl-3-nitrobenzoyl chloride
CID 96829774
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
3-amino-2-methyl-5-nitrobenzamide
CID 19141
3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
3-chloro-2,5-dimethylbenzamide
CID 171008035
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2-amino-4,5-dinitrobenzamide
CID 119012907
4-methylsulfonyl-2-nitrobenzamide
CID 66667626
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-nitrobenzamide?
The IUPAC name of 2,5-dimethyl-3-nitrobenzamide (CID 119008464) is 2,5-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 2,5-dimethyl-3-nitrobenzamide?
The canonical SMILES for 2,5-dimethyl-3-nitrobenzamide is Cc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2,5-dimethyl-3-nitrobenzamide?
The InChIKey is YBZCVKGZCZBJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-3-7(9(10)12)6(2)8(4-5)11(13)14/h3-4H,1-2H3,(H2,10,12).
What are the key properties of 2,5-dimethyl-3-nitrobenzamide?
2,5-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 2,5-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 119008464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).