4-fluoro-3-methyl-5-nitrobenzamide

C8H7FN2O3 — CID 118821864

IUPAC4-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(N)=O)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)3-6(7(4)9)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyXOYRAVJHDWQNQX-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.14
Rot. Bonds2

About 4-fluoro-3-methyl-5-nitrobenzamide

4-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 118821864) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-nitrobenzamide
PubChem CID118821864
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name4-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(N)=O)cc([N+](=O)[O-])c1F
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)3-6(7(4)9)11(13)14/h2-3H,1H3,(H2,10,12)
InChIKeyXOYRAVJHDWQNQX-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

ethyl 4-fluoro-3-methyl-5-nitrobenzoate
CID 63210460
ethane;4-methyl-3-nitrobenzamide
CID 143806264
4-fluoro-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 75486347
3-amino-4,5-dinitrobenzamide
CID 131501988
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
3-fluoro-4-nitrobenzamide
CID 11423967
3-fluoro-4-nitrobenzamide;urea
CID 162262537
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
4-ethyl-3-nitrobenzamide
CID 57169483
(4-carbamoyl-2-nitrophenyl)boronic acid
CID 131396967
3,5-dinitrobenzamide;hydrochloride
CID 172864761

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of 4-fluoro-3-methyl-5-nitrobenzamide (CID 118821864) is 4-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for 4-fluoro-3-methyl-5-nitrobenzamide is Cc1cc(C(N)=O)cc([N+](=O)[O-])c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is XOYRAVJHDWQNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-4-2-5(8(10)12)3-6(7(4)9)11(13)14/h2-3H,1H3,(H2,10,12).
What are the key properties of 4-fluoro-3-methyl-5-nitrobenzamide?
4-fluoro-3-methyl-5-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-5-nitrobenzamide is sourced from PubChem (CID 118821864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).