1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone

C18H17ClFNO2 — CID 58315805

IUPAC1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
SMILESO=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO2/c19-14-5-6-15(16(20)10-14)17(22)9-12-1-3-13(4-2-12)18-11-21-7-8-23-18/h1-6,10,18,21H,7-9,11H2
InChIKeyBUUONVXTFOARON-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.57
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone

1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone (PubChem CID 58315805) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
PubChem CID58315805
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
SMILESO=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO2/c19-14-5-6-15(16(20)10-14)17(22)9-12-1-3-13(4-2-12)18-11-21-7-8-23-18/h1-6,10,18,21H,7-9,11H2
InChIKeyBUUONVXTFOARON-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
5-chloro-2-morpholin-2-ylbenzoic acid
CID 174949495
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone (CID 58315805) is 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone is O=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone?
The InChIKey is BUUONVXTFOARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-14-5-6-15(16(20)10-14)17(22)9-12-1-3-13(4-2-12)18-11-21-7-8-23-18/h1-6,10,18,21H,7-9,11H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone?
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone has a molecular weight of 333.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone is sourced from PubChem (CID 58315805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).