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

C24H23Cl2F3N2O3 — CID 151304861

IUPAC(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-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](c2ccccc2)CN1
InChIInChI=1S/C24H23Cl2F3N2O3/c25-17-10-16(11-18(26)12-17)23(34,24(27,28)29)21(33)31-8-6-22(7-9-31)13-20(32)30-14-19(22)15-4-2-1-3-5-15/h1-5,10-12,19,34H,6-9,13-14H2,(H,30,32)/t19-,23-/m0/s1
InChIKeyODEMKKNXHHMOCP-CVDCTZTESA-N
MW515.36 g/mol
LogP4.66
Rot. Bonds3

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

(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 151304861) has the molecular formula C24H23Cl2F3N2O3 and a molecular weight of 515.36 g/mol. Its IUPAC name is (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID151304861
Molecular FormulaC24H23Cl2F3N2O3
Molecular Weight515.36 g/mol
Exact Mass514.10
IUPAC Name(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-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](c2ccccc2)CN1
InChIInChI=1S/C24H23Cl2F3N2O3/c25-17-10-16(11-18(26)12-17)23(34,24(27,28)29)21(33)31-8-6-22(7-9-31)13-20(32)30-14-19(22)15-4-2-1-3-5-15/h1-5,10-12,19,34H,6-9,13-14H2,(H,30,32)/t19-,23-/m0/s1
InChIKeyODEMKKNXHHMOCP-CVDCTZTESA-N
XLogP4.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (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) is (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-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](c2ccccc2)CN1.
What is the InChIKey of (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is ODEMKKNXHHMOCP-CVDCTZTESA-N. The full InChI is InChI=1S/C24H23Cl2F3N2O3/c25-17-10-16(11-18(26)12-17)23(34,24(27,28)29)21(33)31-8-6-22(7-9-31)13-20(32)30-14-19(22)15-4-2-1-3-5-15/h1-5,10-12,19,34H,6-9,13-14H2,(H,30,32)/t19-,23-/m0/s1.
What are the key properties of (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 515.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 151304861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).