2-fluoro-6-methyl-4-nitrobenzamide

C8H7FN2O3 — CID 130969161

IUPAC2-fluoro-6-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(F)c1C(N)=O
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(11(13)14)3-6(9)7(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyKMUMRADDJMSSEZ-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.14
Rot. Bonds2

About 2-fluoro-6-methyl-4-nitrobenzamide

2-fluoro-6-methyl-4-nitrobenzamide (PubChem CID 130969161) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-nitrobenzamide
PubChem CID130969161
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name2-fluoro-6-methyl-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(F)c1C(N)=O
InChIInChI=1S/C8H7FN2O3/c1-4-2-5(11(13)14)3-6(9)7(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyKMUMRADDJMSSEZ-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

2-bromo-3-fluoro-5-nitrobenzamide
CID 130980263
3-methyl-5-nitrophthalic acid
CID 18429286
2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-methyl-4,6-dinitrobenzoic acid
CID 53400679
(E)-3-(2-fluoro-6-methyl-4-nitrophenyl)prop-2-enoic acid
CID 134620420
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-cyano-3-methyl-5-nitrobenzamide
CID 171028348
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
3,5-dinitrobenzamide;hydrochloride
CID 172864761

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-nitrobenzamide?
The IUPAC name of 2-fluoro-6-methyl-4-nitrobenzamide (CID 130969161) is 2-fluoro-6-methyl-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-6-methyl-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-6-methyl-4-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-methyl-4-nitrobenzamide?
The InChIKey is KMUMRADDJMSSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-4-2-5(11(13)14)3-6(9)7(4)8(10)12/h2-3H,1H3,(H2,10,12).
What are the key properties of 2-fluoro-6-methyl-4-nitrobenzamide?
2-fluoro-6-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-6-methyl-4-nitrobenzamide is sourced from PubChem (CID 130969161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).