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

C10H11FN2O5 — CID 82722467

IUPAC2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
SMILESCOCCONC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O5/c1-17-4-5-18-12-10(14)8-6-7(13(15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyXRQAUTQJBBXILH-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.04
Rot. Bonds6

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

2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide (PubChem CID 82722467) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
PubChem CID82722467
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
SMILESCOCCONC(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O5/c1-17-4-5-18-12-10(14)8-6-7(13(15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyXRQAUTQJBBXILH-UHFFFAOYSA-N
XLogP1.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-5-nitrobenzamide
CID 106242556
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
N-[3-(aminomethyl)pentan-3-yl]-2-fluoro-5-nitrobenzamide
CID 63887378
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
N-(2-aminobutyl)-2-fluoro-5-nitrobenzamide
CID 63731372
2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzamide
CID 64540596
ethyl 4-[(2-fluoro-5-nitrobenzoyl)amino]butanoate
CID 64576557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide (CID 82722467) is 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide is COCCONC(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide?
The InChIKey is XRQAUTQJBBXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-17-4-5-18-12-10(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-methoxyethoxy)-5-nitrobenzamide?
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide has a molecular weight of 258.20 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide is sourced from PubChem (CID 82722467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).