2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C14H19ClFN2O2+ — CID 6965938

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC[NH+]1CCOCC1
InChIInChI=1S/C14H18ClFN2O2/c15-12-2-1-3-13(16)11(12)10-14(19)17-4-5-18-6-8-20-9-7-18/h1-3H,4-10H2,(H,17,19)/p+1
InChIKeyBFXLDZOHXULEJL-UHFFFAOYSA-O
MW301.77 g/mol
LogP0.05
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 6965938) has the molecular formula C14H19ClFN2O2+ and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID6965938
Molecular FormulaC14H19ClFN2O2+
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC[NH+]1CCOCC1
InChIInChI=1S/C14H18ClFN2O2/c15-12-2-1-3-13(16)11(12)10-14(19)17-4-5-18-6-8-20-9-7-18/h1-3H,4-10H2,(H,17,19)/p+1
InChIKeyBFXLDZOHXULEJL-UHFFFAOYSA-O
XLogP0.05
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Moclobemide
CID 4235
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
2-(2-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4882745
(2E)-3-(6-chloro-2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 6087869
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
2,6-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 743791
2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 885892

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 6965938) is 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCC[NH+]1CCOCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is BFXLDZOHXULEJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18ClFN2O2/c15-12-2-1-3-13(16)11(12)10-14(19)17-4-5-18-6-8-20-9-7-18/h1-3H,4-10H2,(H,17,19)/p+1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 301.77 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 6965938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).