2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide

C19H21F2N2O2+ — CID 6595995

IUPAC2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H20F2N2O2/c20-15-7-5-14(6-8-15)18(23-9-11-25-12-10-23)13-22-19(24)16-3-1-2-4-17(16)21/h1-8,18H,9-13H2,(H,22,24)/p+1/t18-/m0/s1
InChIKeyGIPIKFWBXWJOFP-SFHVURJKSA-O
MW347.39 g/mol
LogP1.35
Rot. Bonds5

About 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide

2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide (PubChem CID 6595995) has the molecular formula C19H21F2N2O2+ and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
PubChem CID6595995
Molecular FormulaC19H21F2N2O2+
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C19H20F2N2O2/c20-15-7-5-14(6-8-15)18(23-9-11-25-12-10-23)13-22-19(24)16-3-1-2-4-17(16)21/h1-8,18H,9-13H2,(H,22,24)/p+1/t18-/m0/s1
InChIKeyGIPIKFWBXWJOFP-SFHVURJKSA-O
XLogP1.35
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide
CID 2311589
2-chloro-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]pyridine-3-carboxamide
CID 2313698
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2,6-difluorobenzamide
CID 7496714
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-2,6-difluorobenzamide
CID 7285628
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfonylbenzamide
CID 8008228
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 8000207
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-fluorobenzamide
CID 7285695
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]naphthalene-1-carboxamide
CID 7496865
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]benzamide
CID 7496843
4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxobutanamide
CID 8890852
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide (CID 6595995) is 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide is O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide?
The InChIKey is GIPIKFWBXWJOFP-SFHVURJKSA-O. The full InChI is InChI=1S/C19H20F2N2O2/c20-15-7-5-14(6-8-15)18(23-9-11-25-12-10-23)13-22-19(24)16-3-1-2-4-17(16)21/h1-8,18H,9-13H2,(H,22,24)/p+1/t18-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide?
2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide has a molecular weight of 347.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide is sourced from PubChem (CID 6595995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).