4-fluoro-3-methyl-2-nitrobenzamide

C8H7FN2O3 — CID 131120224

IUPAC4-fluoro-3-methyl-2-nitrobenzamide
SMILESCc1c(F)ccc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O3/c1-4-6(9)3-2-5(8(10)12)7(4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyISUJMIGCIZTYJD-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.14
Rot. Bonds2

About 4-fluoro-3-methyl-2-nitrobenzamide

4-fluoro-3-methyl-2-nitrobenzamide (PubChem CID 131120224) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-2-nitrobenzamide
PubChem CID131120224
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name4-fluoro-3-methyl-2-nitrobenzamide
SMILESCc1c(F)ccc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O3/c1-4-6(9)3-2-5(8(10)12)7(4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyISUJMIGCIZTYJD-UHFFFAOYSA-N
XLogP1.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.14
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-nitrobenzoic acid
CID 53430691
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
4-hydroxy-2-methyl-3-nitrobenzamide
CID 20981195
3,6-difluoro-2-nitrobenzamide
CID 131169296
2-bromo-1-(4-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 118799232
3-amino-4-fluoro-2-nitrobenzoic acid
CID 122687122
4-fluoro-3-methyl-2-nitrobenzaldehyde
CID 118821863
1-(4-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 123295309
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 119023442
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2-nitrobenzamide?
The IUPAC name of 4-fluoro-3-methyl-2-nitrobenzamide (CID 131120224) is 4-fluoro-3-methyl-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-3-methyl-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-3-methyl-2-nitrobenzamide is Cc1c(F)ccc(C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-3-methyl-2-nitrobenzamide?
The InChIKey is ISUJMIGCIZTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-4-6(9)3-2-5(8(10)12)7(4)11(13)14/h2-3H,1H3,(H2,10,12).
What are the key properties of 4-fluoro-3-methyl-2-nitrobenzamide?
4-fluoro-3-methyl-2-nitrobenzamide has a molecular weight of 198.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 131120224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).