2-methyl-3,5-dinitrobenzamide

C8H7N3O5 — CID 3092

💊View drug profile → dinitolmide
IUPAC2-methyl-3,5-dinitrobenzamide
SMILESCc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKeyZEFNOZRLAWVAQF-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.91
Rot. Bonds3

About 2-methyl-3,5-dinitrobenzamide

2-methyl-3,5-dinitrobenzamide (PubChem CID 3092) has the molecular formula C8H7N3O5 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-methyl-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-methyl-3,5-dinitrobenzamide
PubChem CID3092
Molecular FormulaC8H7N3O5
Molecular Weight225.16 g/mol
Exact Mass225.04
IUPAC Name2-methyl-3,5-dinitrobenzamide
SMILESCc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKeyZEFNOZRLAWVAQF-UHFFFAOYSA-N
XLogP0.91
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.91
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

3,5-Dinitrobenzamide
CID 4511
3-Nitrobenzamide
CID 12576
Benzamide, 2-amino-3,5-dinitro-
CID 198148
3-Amino-2-methyl-5-nitrobenzamide
CID 19141
3,5-Dinitrobenzohydrazide
CID 3329932
1,2-Benzenedicarboxamide, 4-nitro-
CID 83167
Benzamide, N-hydroxy-3-nitro-
CID 4435105
4-Amino-3,5-dinitrobenzamide
CID 98638
N-Methyl-3,5-dinitrobenzamide
CID 351138
Benzamide, 4-methyl-3-nitro-
CID 87896
N,N-Dimethyl-3,5-dinitrobenzamide
CID 1722509
3,5-Dinitroacetophenone
CID 258569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dinitrobenzamide?
The IUPAC name of 2-methyl-3,5-dinitrobenzamide (CID 3092) is 2-methyl-3,5-dinitrobenzamide.
What is the SMILES notation for 2-methyl-3,5-dinitrobenzamide?
The canonical SMILES for 2-methyl-3,5-dinitrobenzamide is Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3,5-dinitrobenzamide?
The InChIKey is ZEFNOZRLAWVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12).
What are the key properties of 2-methyl-3,5-dinitrobenzamide?
2-methyl-3,5-dinitrobenzamide has a molecular weight of 225.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dinitrobenzamide is sourced from PubChem (CID 3092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).