N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide

C12H16FN2O2+ — CID 2654034

IUPACN-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)/p+1
InChIKeyGPLDJFZAUDSSMX-UHFFFAOYSA-O
MW239.27 g/mol
LogP-0.32
Rot. Bonds3

About N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide

N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2654034) has the molecular formula C12H16FN2O2+ and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID2654034
Molecular FormulaC12H16FN2O2+
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)/p+1
InChIKeyGPLDJFZAUDSSMX-UHFFFAOYSA-O
XLogP-0.32
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654003
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711138
2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711156
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-pentylacetamide
CID 8691027
2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711088
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9044697
2-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8690487
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8690981
(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275850
N-(3-fluorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8711246
2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020364

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide (CID 2654034) is N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is GPLDJFZAUDSSMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15FN2O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2,(H,14,16)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2654034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).