2,5-difluoro-4-methyl-3-nitrobenzamide

C8H6F2N2O3 — CID 169268617

IUPAC2,5-difluoro-4-methyl-3-nitrobenzamide
SMILESCc1c(F)cc(C(N)=O)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N2O3/c1-3-5(9)2-4(8(11)13)6(10)7(3)12(14)15/h2H,1H3,(H2,11,13)
InChIKeyQOQOXWYTGLEZNZ-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.28
Rot. Bonds2

About 2,5-difluoro-4-methyl-3-nitrobenzamide

2,5-difluoro-4-methyl-3-nitrobenzamide (PubChem CID 169268617) has the molecular formula C8H6F2N2O3 and a molecular weight of 216.14 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-3-nitrobenzamide
PubChem CID169268617
Molecular FormulaC8H6F2N2O3
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name2,5-difluoro-4-methyl-3-nitrobenzamide
SMILESCc1c(F)cc(C(N)=O)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N2O3/c1-3-5(9)2-4(8(11)13)6(10)7(3)12(14)15/h2H,1H3,(H2,11,13)
InChIKeyQOQOXWYTGLEZNZ-UHFFFAOYSA-N
XLogP1.28
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.28
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

4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
1,3-difluoro-4-methyl-2-nitro-5-prop-1-en-2-ylbenzene
CID 147694949
methyl 5-bromo-2-fluoro-4-methyl-3-nitrobenzoate
CID 134818579
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
4-ethynyl-2,5-dimethyl-3-nitrobenzamide
CID 174758937
3,6-difluoro-2-nitrobenzamide
CID 131169296
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-3-nitrobenzamide?
The IUPAC name of 2,5-difluoro-4-methyl-3-nitrobenzamide (CID 169268617) is 2,5-difluoro-4-methyl-3-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-4-methyl-3-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-4-methyl-3-nitrobenzamide is Cc1c(F)cc(C(N)=O)c(F)c1[N+](=O)[O-].
What is the InChIKey of 2,5-difluoro-4-methyl-3-nitrobenzamide?
The InChIKey is QOQOXWYTGLEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O3/c1-3-5(9)2-4(8(11)13)6(10)7(3)12(14)15/h2H,1H3,(H2,11,13).
What are the key properties of 2,5-difluoro-4-methyl-3-nitrobenzamide?
2,5-difluoro-4-methyl-3-nitrobenzamide has a molecular weight of 216.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 169268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).