(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one

C24H22Cl2F4N2O3 — CID 152674323

IUPAC(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)[C@](O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)[C@H](c2ccc(F)cc2)CN1
InChIInChI=1S/C24H22Cl2F4N2O3/c25-16-9-15(10-17(26)11-16)23(35,24(28,29)30)21(34)32-7-5-22(6-8-32)12-20(33)31-13-19(22)14-1-3-18(27)4-2-14/h1-4,9-11,19,35H,5-8,12-13H2,(H,31,33)/t19-,23+/m0/s1
InChIKeyZMFAUIKTFSLVIY-WMZHIEFXSA-N
MW533.35 g/mol
LogP4.79
Rot. Bonds3

About (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one

(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 152674323) has the molecular formula C24H22Cl2F4N2O3 and a molecular weight of 533.35 g/mol. Its IUPAC name is (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID152674323
Molecular FormulaC24H22Cl2F4N2O3
Molecular Weight533.35 g/mol
Exact Mass532.09
IUPAC Name(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)[C@](O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)[C@H](c2ccc(F)cc2)CN1
InChIInChI=1S/C24H22Cl2F4N2O3/c25-16-9-15(10-17(26)11-16)23(35,24(28,29)30)21(34)32-7-5-22(6-8-32)12-20(33)31-13-19(22)14-1-3-18(27)4-2-14/h1-4,9-11,19,35H,5-8,12-13H2,(H,31,33)/t19-,23+/m0/s1
InChIKeyZMFAUIKTFSLVIY-WMZHIEFXSA-N
XLogP4.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.35
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one with MolForge

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Related Compounds

(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151304861
(5R)-9-[2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 151494445
(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150878766
(5R)-5-phenyl-9-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150878767
9-[2-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150377693
(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150087990
5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
CID 147408908
(5R)-5-(3,4-difluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150207897
9-[2-(2,4-dimethylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150593974
(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151623925
5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 132772424
(5R)-9-[(2R)-2-[3-(cyclohexen-1-yl)phenyl]-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150565628

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one (CID 152674323) is (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCN(C(=O)[C@](O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)[C@H](c2ccc(F)cc2)CN1.
What is the InChIKey of (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is ZMFAUIKTFSLVIY-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H22Cl2F4N2O3/c25-16-9-15(10-17(26)11-16)23(35,24(28,29)30)21(34)32-7-5-22(6-8-32)12-20(33)31-13-19(22)14-1-3-18(27)4-2-14/h1-4,9-11,19,35H,5-8,12-13H2,(H,31,33)/t19-,23+/m0/s1.
What are the key properties of (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 533.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 152674323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).