1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride

C20H23ClFNO3 — CID 44667894

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride
SMILESCOc1ccc(C(=O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C20H22FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17H,9-12,14H2,1H3;1H
InChIKeyOFYKNKGCHNPWTQ-UHFFFAOYSA-N
MW379.86 g/mol
LogP-1.28
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride

1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride (PubChem CID 44667894) has the molecular formula C20H23ClFNO3 and a molecular weight of 379.86 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride
PubChem CID44667894
Molecular FormulaC20H23ClFNO3
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride
SMILESCOc1ccc(C(=O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C20H22FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17H,9-12,14H2,1H3;1H
InChIKeyOFYKNKGCHNPWTQ-UHFFFAOYSA-N
XLogP-1.28
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
CID 44657642
(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
CID 914585
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
(2S)-1-(4-fluorophenyl)-2-phenyl-3-piperazine-1,4-diium-1-ylpropan-1-one
CID 7033475
(2S)-1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6947664
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2-methoxybenzoate
CID 6949317
(2R)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6922135
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride (CID 44667894) is 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride is COc1ccc(C(=O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-].
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride?
The InChIKey is OFYKNKGCHNPWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17H,9-12,14H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride?
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride has a molecular weight of 379.86 g/mol, XLogP of -1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride is sourced from PubChem (CID 44667894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).