(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide

C13H18FN2O2+ — CID 9275850

IUPAC(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCOCC1
InChIInChI=1S/C13H17FN2O2/c1-10(16-5-7-18-8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17)/p+1/t10-/m1/s1
InChIKeyVDYUNMJZEGQVGX-SNVBAGLBSA-O
MW253.30 g/mol
LogP0.07
Rot. Bonds3

About (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide

(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide (PubChem CID 9275850) has the molecular formula C13H18FN2O2+ and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
PubChem CID9275850
Molecular FormulaC13H18FN2O2+
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCOCC1
InChIInChI=1S/C13H17FN2O2/c1-10(16-5-7-18-8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17)/p+1/t10-/m1/s1
InChIKeyVDYUNMJZEGQVGX-SNVBAGLBSA-O
XLogP0.07
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide 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

(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
CID 9249008
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
CID 9442654
(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275992
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249280
(2R)-N-(3-fluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493373
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide (CID 9275850) is (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide is C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCOCC1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide?
The InChIKey is VDYUNMJZEGQVGX-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H17FN2O2/c1-10(16-5-7-18-8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H,15,17)/p+1/t10-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide?
(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 9275850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).