2-fluoro-N-methyl-5-nitrobenzamide

C8H7FN2O3 — CID 43377394

IUPAC2-fluoro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H7FN2O3/c1-10-8(12)6-4-5(11(13)14)2-3-7(6)9/h2-4H,1H3,(H,10,12)
InChIKeyIGSVAMSQRNPSRN-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.09
Rot. Bonds2

About 2-fluoro-N-methyl-5-nitrobenzamide

2-fluoro-N-methyl-5-nitrobenzamide (PubChem CID 43377394) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-nitrobenzamide
PubChem CID43377394
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name2-fluoro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H7FN2O3/c1-10-8(12)6-4-5(11(13)14)2-3-7(6)9/h2-4H,1H3,(H,10,12)
InChIKeyIGSVAMSQRNPSRN-UHFFFAOYSA-N
XLogP1.09
TPSA72.24 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 ≤ 51.09
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'}

Analyze 2-fluoro-N-methyl-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 174970161
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
2-fluoro-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzamide
CID 22467430
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-methyl-5-nitrobenzamide (CID 43377394) is 2-fluoro-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-nitrobenzamide?
The InChIKey is IGSVAMSQRNPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c1-10-8(12)6-4-5(11(13)14)2-3-7(6)9/h2-4H,1H3,(H,10,12).
What are the key properties of 2-fluoro-N-methyl-5-nitrobenzamide?
2-fluoro-N-methyl-5-nitrobenzamide has a molecular weight of 198.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 43377394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).