1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride

C20H23ClFNO3 — CID 3066411

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN2CCOCC2)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
LogP3.55
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride

1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride (PubChem CID 3066411) 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-yl-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride
PubChem CID3066411
Molecular FormulaC20H23ClFNO3
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN2CCOCC2)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
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride (CID 3066411) is 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride is COc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride?
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-yl-2-phenylpropan-1-one;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 3066411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).