3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one

C22H25ClN2O2 — CID 72875141

IUPAC3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)14-22(26)25-15-20(16-25)24-10-12-27-13-11-24/h1-9,20-21H,10-16H2
InChIKeyYNMOADQKNDFASC-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.40
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one

3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one (PubChem CID 72875141) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
PubChem CID72875141
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)14-22(26)25-15-20(16-25)24-10-12-27-13-11-24/h1-9,20-21H,10-16H2
InChIKeyYNMOADQKNDFASC-UHFFFAOYSA-N
XLogP3.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 90587776
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 91777788
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one (CID 72875141) is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1ccc(Cl)cc1)N1CC(N2CCOCC2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is YNMOADQKNDFASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)14-22(26)25-15-20(16-25)24-10-12-27-13-11-24/h1-9,20-21H,10-16H2.
What are the key properties of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one?
3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 384.91 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 72875141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).