2-fluoro-5-methyl-4-nitrobenzamide

C8H7FN2O3 — CID 130894297

IUPAC2-fluoro-5-methyl-4-nitrobenzamide
SMILESCc1cc(C(N)=O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)6(9)3-7(4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyZNLIBCHDRPOTGO-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.14
Rot. Bonds2

About 2-fluoro-5-methyl-4-nitrobenzamide

2-fluoro-5-methyl-4-nitrobenzamide (PubChem CID 130894297) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-nitrobenzamide
PubChem CID130894297
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name2-fluoro-5-methyl-4-nitrobenzamide
SMILESCc1cc(C(N)=O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)6(9)3-7(4)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyZNLIBCHDRPOTGO-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

methyl 2-fluoro-5-methyl-4-nitrobenzoate
CID 134648424
2-(2-fluoro-4-methyl-5-nitrophenyl)-2-oxoacetic acid
CID 165489026
5-amino-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-5-nitrobenzoic acid
CID 159447997
5-methyl-2,4-dinitrobenzoate
CID 3671899
4-fluoro-3-methyl-5-nitrobenzamide
CID 118821864
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
2,5-dimethyl-3-nitrobenzamide
CID 119008464
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
ethyl 5-bromo-2-fluoro-4-nitrobenzoate
CID 134633545
1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
CID 67175932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-nitrobenzamide?
The IUPAC name of 2-fluoro-5-methyl-4-nitrobenzamide (CID 130894297) is 2-fluoro-5-methyl-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-5-methyl-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-5-methyl-4-nitrobenzamide is Cc1cc(C(N)=O)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-5-methyl-4-nitrobenzamide?
The InChIKey is ZNLIBCHDRPOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)6(9)3-7(4)11(13)14/h2-3H,1H3,(H2,10,12).
What are the key properties of 2-fluoro-5-methyl-4-nitrobenzamide?
2-fluoro-5-methyl-4-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 2-fluoro-5-methyl-4-nitrobenzamide is sourced from PubChem (CID 130894297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).