1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one

C17H18ClNO3 — CID 110356623

IUPAC1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H18ClNO3/c18-14-4-1-3-13(11-14)16-12-19(8-10-22-16)17(20)7-6-15-5-2-9-21-15/h1-5,9,11,16H,6-8,10,12H2
InChIKeyVIOSPUTVGONSHY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one

1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 110356623) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
PubChem CID110356623
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H18ClNO3/c18-14-4-1-3-13(11-14)16-12-19(8-10-22-16)17(20)7-6-15-5-2-9-21-15/h1-5,9,11,16H,6-8,10,12H2
InChIKeyVIOSPUTVGONSHY-UHFFFAOYSA-N
XLogP3.47
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590
N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110416762
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110356643
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
4-[3-(furan-2-yl)propanoyl]morpholine-2-carbothioamide
CID 79674928
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 128981499
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 17459924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one (CID 110356623) is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is VIOSPUTVGONSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-14-4-1-3-13(11-14)16-12-19(8-10-22-16)17(20)7-6-15-5-2-9-21-15/h1-5,9,11,16H,6-8,10,12H2.
What are the key properties of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one?
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 319.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 110356623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).