6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene

C24H27Cl2NO2 — CID 144688353

IUPAC6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene
SMILESC=CC.O=C1COC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N1CC1CCC1
InChIInChI=1S/C21H21Cl2NO2.C3H6/c22-17-9-7-15(8-10-17)20-21(16-5-2-6-18(23)11-16)26-13-19(25)24(20)12-14-3-1-4-14;1-3-2/h2,5-11,14,20-21H,1,3-4,12-13H2;3H,1H2,2H3
InChIKeyJHVWPPIGYPFRPJ-UHFFFAOYSA-N
MW432.39 g/mol
LogP6.63
Rot. Bonds4

About 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene

6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene (PubChem CID 144688353) has the molecular formula C24H27Cl2NO2 and a molecular weight of 432.39 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene
PubChem CID144688353
Molecular FormulaC24H27Cl2NO2
Molecular Weight432.39 g/mol
Exact Mass431.14
IUPAC Name6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene
SMILESC=CC.O=C1COC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N1CC1CCC1
InChIInChI=1S/C21H21Cl2NO2.C3H6/c22-17-9-7-15(8-10-17)20-21(16-5-2-6-18(23)11-16)26-13-19(25)24(20)12-14-3-1-4-14;1-3-2/h2,5-11,14,20-21H,1,3-4,12-13H2;3H,1H2,2H3
InChIKeyJHVWPPIGYPFRPJ-UHFFFAOYSA-N
XLogP6.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[[(1S,2S)-2-methylcyclopropyl]methyl]morpholin-3-one
CID 90358394
(6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
CID 167175884
(5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholin-3-one
CID 90358698
tetrakis(carbon dioxide);bis((2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one);bis((2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one);methane
CID 159579179
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 123183230
(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxy-3-methylbutan-2-yl]morpholin-3-one
CID 90347752
(5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 89490757
2-[(2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclohexylmethyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclohexylmethyl)-3-oxomorpholin-2-yl]acetic acid
CID 160772810
6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(4-methylphenyl)-2-prop-2-enylmorpholin-3-one
CID 123623698
ethyl (2S)-2-[(2R,3S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 90371973
ethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate;ethyl (2S)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 162193875
ethyl (2R)-2-[(3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 130411277

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene?
The IUPAC name of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene (CID 144688353) is 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene?
The canonical SMILES for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene is C=CC.O=C1COC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N1CC1CCC1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene?
The InChIKey is JHVWPPIGYPFRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO2.C3H6/c22-17-9-7-15(8-10-17)20-21(16-5-2-6-18(23)11-16)26-13-19(25)24(20)12-14-3-1-4-14;1-3-2/h2,5-11,14,20-21H,1,3-4,12-13H2;3H,1H2,2H3.
What are the key properties of 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene?
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene has a molecular weight of 432.39 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene is sourced from PubChem (CID 144688353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).