[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate

C19H19FN2O4 — CID 4626672

IUPAC[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O4/c20-15-6-2-1-5-14(15)19(24)26-13-18(23)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyHPVLRQYBOVOYEO-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.46
Rot. Bonds5

About [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate

[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 4626672) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID4626672
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H19FN2O4/c20-15-6-2-1-5-14(15)19(24)26-13-18(23)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyHPVLRQYBOVOYEO-UHFFFAOYSA-N
XLogP2.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate 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-(2-aminoethoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 79473131
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-(2-fluorophenyl)-N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzoylbenzoate
CID 2485763
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
N-[2-(2-fluorophenyl)ethyl]-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108948326

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate (CID 4626672) is [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)Nc1ccccc1N1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is HPVLRQYBOVOYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-15-6-2-1-5-14(15)19(24)26-13-18(23)21-16-7-3-4-8-17(16)22-9-11-25-12-10-22/h1-8H,9-13H2,(H,21,23).
What are the key properties of [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate?
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 358.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 4626672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).