(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one

C21H25ClN2O4 — CID 1403980

IUPAC(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
SMILESO=C(c1ccco1)[C@@H]([C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H25ClN2O4/c22-17-4-1-3-16(15-17)19(23-6-11-26-12-7-23)20(24-8-13-27-14-9-24)21(25)18-5-2-10-28-18/h1-5,10,15,19-20H,6-9,11-14H2/t19-,20-/m1/s1
InChIKeyXHSHEEBEIJNUQL-WOJBJXKFSA-N
MW404.89 g/mol
LogP2.89
Rot. Bonds6

About (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one

(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one (PubChem CID 1403980) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
PubChem CID1403980
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
SMILESO=C(c1ccco1)[C@@H]([C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H25ClN2O4/c22-17-4-1-3-16(15-17)19(23-6-11-26-12-7-23)20(24-8-13-27-14-9-24)21(25)18-5-2-10-28-18/h1-5,10,15,19-20H,6-9,11-14H2/t19-,20-/m1/s1
InChIKeyXHSHEEBEIJNUQL-WOJBJXKFSA-N
XLogP2.89
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one with MolForge

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Related Compounds

(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1192804
(2R,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1192806
(2R,3S)-1-(furan-2-yl)-3-(4-methylsulfanylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1178089
N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
CID 92573632
4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 66962797
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
CID 92573674
2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
CID 105099319
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one?
The IUPAC name of (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one (CID 1403980) is (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one?
The canonical SMILES for (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one is O=C(c1ccco1)[C@@H]([C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one?
The InChIKey is XHSHEEBEIJNUQL-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c22-17-4-1-3-16(15-17)19(23-6-11-26-12-7-23)20(24-8-13-27-14-9-24)21(25)18-5-2-10-28-18/h1-5,10,15,19-20H,6-9,11-14H2/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one?
(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one has a molecular weight of 404.89 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one is sourced from PubChem (CID 1403980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).