1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one

C17H21Cl2NO2 — CID 19823756

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(N1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H21Cl2NO2/c1-12(21)16(20-7-9-22-10-8-20)17(5-2-6-17)13-3-4-14(18)15(19)11-13/h3-4,11,16H,2,5-10H2,1H3
InChIKeyOIYYGTOJIQVULT-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one

1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one (PubChem CID 19823756) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one
PubChem CID19823756
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(N1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C17H21Cl2NO2/c1-12(21)16(20-7-9-22-10-8-20)17(5-2-6-17)13-3-4-14(18)15(19)11-13/h3-4,11,16H,2,5-10H2,1H3
InChIKeyOIYYGTOJIQVULT-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dichlorophenyl)-5-morpholin-4-ylpentan-3-one
CID 12842163
1-(3,4-Dichlorophenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 53315217
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 13279952
N-acetyl-N-(2-morpholinoethyl)-1-[1-(3,4-dichlorophenyl)cyclobutyl]ethylamine
CID 13279957
5-[1-(3,4-Dichlorophenyl)cyclobutyl]-5-dimethylamino-4-oxopentyl acetate
CID 19823610
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)octan-2-one
CID 19823616
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-4-methylpentan-2-one
CID 19823633
1-[Cyclohexyl(methyl)amino]-1-[1-(3,4-dichlorophenyl)cyclobutyl]butan-2-one
CID 19823635
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)hexan-2-one
CID 19823647
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-piperidin-1-ylpropan-2-one
CID 19823652
8-[1-(3,4-Dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
CID 19823665
9-[1-(3,4-Dichlorophenyl)cyclobutyl]-9-(dimethylamino)nonane-2,5-dione
CID 19823666

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one (CID 19823756) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one is CC(=O)C(N1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one?
The InChIKey is OIYYGTOJIQVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO2/c1-12(21)16(20-7-9-22-10-8-20)17(5-2-6-17)13-3-4-14(18)15(19)11-13/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one has a molecular weight of 342.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 19823756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).