(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one

C23H25Cl2NO4 — CID 86281388

IUPAC(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one
SMILESO=C1[C@H](C[C@H](O)CO)O[C@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C23H25Cl2NO4/c24-17-8-6-15(7-9-17)21-22(16-2-1-3-18(25)10-16)30-20(11-19(28)13-27)23(29)26(21)12-14-4-5-14/h1-3,6-10,14,19-22,27-28H,4-5,11-13H2/t19-,20-,21-,22+/m0/s1
InChIKeyUXPNGKJMGNJWPS-MYGLTJDJSA-N
MW450.36 g/mol
LogP4.16
Rot. Bonds7

About (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one

(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one (PubChem CID 86281388) has the molecular formula C23H25Cl2NO4 and a molecular weight of 450.36 g/mol. Its IUPAC name is (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one.

Molecular Properties

Compound Name(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one
PubChem CID86281388
Molecular FormulaC23H25Cl2NO4
Molecular Weight450.36 g/mol
Exact Mass449.12
IUPAC Name(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one
SMILESO=C1[C@H](C[C@H](O)CO)O[C@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C23H25Cl2NO4/c24-17-8-6-15(7-9-17)21-22(16-2-1-3-18(25)10-16)30-20(11-19(28)13-27)23(29)26(21)12-14-4-5-14/h1-3,6-10,14,19-22,27-28H,4-5,11-13H2/t19-,20-,21-,22+/m0/s1
InChIKeyUXPNGKJMGNJWPS-MYGLTJDJSA-N
XLogP4.16
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
CID 167175884
2-[(2S,5S,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetamide
CID 89478796
2-[(2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid;methane
CID 161053866
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
3-[(2R,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]propanenitrile
CID 90358241
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
2-[(2R,5R,6R)-6-(3-chlorophenyl)-4-(cyclopropylmethyl)-5-(4-methylphenyl)-3-oxomorpholin-2-yl]acetic acid
CID 71544192
2-[(2R,6R)-5-(4-bromophenyl)-6-(3-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid
CID 122684494
(2S,5R,6R)-4-(1-tert-butylsulfonylbutan-2-yl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-(2,3-dihydroxypropyl)morpholin-3-one
CID 90341934
2-[(2S,5R,6S)-4-butyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 90357422
2-[(2R,5S,6R)-4-benzyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 86281779

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one?
The IUPAC name of (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one (CID 86281388) is (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one.
What is the SMILES notation for (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one?
The canonical SMILES for (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one is O=C1[C@H](C[C@H](O)CO)O[C@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N1CC1CC1.
What is the InChIKey of (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one?
The InChIKey is UXPNGKJMGNJWPS-MYGLTJDJSA-N. The full InChI is InChI=1S/C23H25Cl2NO4/c24-17-8-6-15(7-9-17)21-22(16-2-1-3-18(25)10-16)30-20(11-19(28)13-27)23(29)26(21)12-14-4-5-14/h1-3,6-10,14,19-22,27-28H,4-5,11-13H2/t19-,20-,21-,22+/m0/s1.
What are the key properties of (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one?
(2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one has a molecular weight of 450.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-2-[(2S)-2,3-dihydroxypropyl]morpholin-3-one is sourced from PubChem (CID 86281388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).