2-methyl-6-nitrobenzamide

C8H8N2O3 — CID 11435293

IUPAC2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3,(H2,9,11)
InChIKeyDOQGEYYGGHYOJZ-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-6-nitrobenzamide

2-methyl-6-nitrobenzamide (PubChem CID 11435293) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-methyl-6-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-6-nitrobenzamide
PubChem CID11435293
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-methyl-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3,(H2,9,11)
InChIKeyDOQGEYYGGHYOJZ-UHFFFAOYSA-N
XLogP1.00
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.00
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

Dinitolmide
CID 3092
2'-Nitroacetophenone
CID 11346
3-Nitrobenzamide
CID 12576
2-Nitrobenzamide
CID 11876
o-Nitrobenzohydrazide
CID 3781218
2-Amino-5-nitrobenzophenone
CID 15681
2-Aminobenzohydroxamic acid
CID 79721
2-Nitrobenzenecarbohydroxamic acid
CID 10940975
3-Amino-2-methyl-5-nitrobenzamide
CID 19141
2-Amino-5-nitrobenzamide
CID 97665
3-Nitrophthalimide
CID 11779
1,2-Benzenedicarboxamide, 4-nitro-
CID 83167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitrobenzamide?
The IUPAC name of 2-methyl-6-nitrobenzamide (CID 11435293) is 2-methyl-6-nitrobenzamide.
What is the SMILES notation for 2-methyl-6-nitrobenzamide?
The canonical SMILES for 2-methyl-6-nitrobenzamide is Cc1cccc([N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 2-methyl-6-nitrobenzamide?
The InChIKey is DOQGEYYGGHYOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3,(H2,9,11).
What are the key properties of 2-methyl-6-nitrobenzamide?
2-methyl-6-nitrobenzamide has a molecular weight of 180.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitrobenzamide is sourced from PubChem (CID 11435293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).