2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate

C19H19FN2O6 — CID 9118295

IUPAC2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate
SMILESO=C(OCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O6/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(22(24)25)5-6-17(15)21-7-9-26-10-8-21/h1-6,13H,7-12H2
InChIKeyCVZSUFXRWACQBF-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate

2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate (PubChem CID 9118295) has the molecular formula C19H19FN2O6 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate
PubChem CID9118295
Molecular FormulaC19H19FN2O6
Molecular Weight390.37 g/mol
Exact Mass390.12
IUPAC Name2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate
SMILESO=C(OCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O6/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(22(24)25)5-6-17(15)21-7-9-26-10-8-21/h1-6,13H,7-12H2
InChIKeyCVZSUFXRWACQBF-UHFFFAOYSA-N
XLogP2.81
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

3-(4-fluorophenoxy)propyl 2-morpholin-4-yl-5-nitrobenzoate
CID 31431504
naphthalen-1-yl 2-morpholin-4-yl-5-nitrobenzoate
CID 18075436
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542086
3-pyridin-3-ylpropyl 2-morpholin-4-yl-5-nitrobenzoate
CID 55331489
(2-chlorophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate
CID 18075401
(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate
CID 7404236
[2-oxo-2-(2-phenylethylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542151
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 18075404
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 9106937
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51241771
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815086

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate (CID 9118295) is 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate is O=C(OCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate?
The InChIKey is CVZSUFXRWACQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O6/c20-16-3-1-2-4-18(16)27-11-12-28-19(23)15-13-14(22(24)25)5-6-17(15)21-7-9-26-10-8-21/h1-6,13H,7-12H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate?
2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate has a molecular weight of 390.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate is sourced from PubChem (CID 9118295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).