(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C24H23F3N2O2 — CID 44546308

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@H](O)c2ccccc2)cc1C
InChIInChI=1S/C24H23F3N2O2/c1-16-8-10-20(14-17(16)2)29(23(31)22(30)19-6-4-3-5-7-19)13-12-18-9-11-21(28-15-18)24(25,26)27/h3-11,14-15,22,30H,12-13H2,1-2H3/t22-/m1/s1
InChIKeyJMADNNBSGZTAJR-JOCHJYFZSA-N
MW428.45 g/mol
LogP5.03
Rot. Bonds6

About (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 44546308) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID44546308
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@H](O)c2ccccc2)cc1C
InChIInChI=1S/C24H23F3N2O2/c1-16-8-10-20(14-17(16)2)29(23(31)22(30)19-6-4-3-5-7-19)13-12-18-9-11-21(28-15-18)24(25,26)27/h3-11,14-15,22,30H,12-13H2,1-2H3/t22-/m1/s1
InChIKeyJMADNNBSGZTAJR-JOCHJYFZSA-N
XLogP5.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 44546308) is (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@H](O)c2ccccc2)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is JMADNNBSGZTAJR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-16-8-10-20(14-17(16)2)29(23(31)22(30)19-6-4-3-5-7-19)13-12-18-9-11-21(28-15-18)24(25,26)27/h3-11,14-15,22,30H,12-13H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
(2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 428.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2-hydroxy-2-phenyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 44546308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).