2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide

C10H11FN2O4 — CID 43377388

IUPAC2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
SMILESCOCCNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O4/c1-17-5-4-12-10(14)8-6-7(13(15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyGQYXGLOPBVLSJG-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.11
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide

2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide (PubChem CID 43377388) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
PubChem CID43377388
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
SMILESCOCCNC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O4/c1-17-5-4-12-10(14)8-6-7(13(15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyGQYXGLOPBVLSJG-UHFFFAOYSA-N
XLogP1.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(2-methoxyethyl)-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

2-fluoro-N-(3-hydroxy-4-methoxybutyl)-5-nitrobenzamide
CID 106242556
2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
ethyl 4-[(2-fluoro-5-nitrobenzoyl)amino]butanoate
CID 64576557
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 60902986
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-nitrobenzamide
CID 83040350
2-fluoro-5-nitro-N-(3-phenylsulfanylpropyl)benzamide
CID 23152090
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide (CID 43377388) is 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide is COCCNC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide?
The InChIKey is GQYXGLOPBVLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-17-5-4-12-10(14)8-6-7(13(15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide?
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide has a molecular weight of 242.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide is sourced from PubChem (CID 43377388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).