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

C24H22F4N2O2 — CID 44546250

IUPAC(2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22F4N2O2/c1-15-3-9-20(13-16(15)2)30(23(32)22(31)18-5-7-19(25)8-6-18)12-11-17-4-10-21(29-14-17)24(26,27)28/h3-10,13-14,22,31H,11-12H2,1-2H3/t22-/m0/s1
InChIKeyWPUADGCMUGLQPG-QFIPXVFZSA-N
MW446.44 g/mol
LogP5.17
Rot. Bonds6

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

(2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 44546250) has the molecular formula C24H22F4N2O2 and a molecular weight of 446.44 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID44546250
Molecular FormulaC24H22F4N2O2
Molecular Weight446.44 g/mol
Exact Mass446.16
IUPAC Name(2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22F4N2O2/c1-15-3-9-20(13-16(15)2)30(23(32)22(31)18-5-7-19(25)8-6-18)12-11-17-4-10-21(29-14-17)24(26,27)28/h3-10,13-14,22,31H,11-12H2,1-2H3/t22-/m0/s1
InChIKeyWPUADGCMUGLQPG-QFIPXVFZSA-N
XLogP5.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 44546250) is (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)[C@@H](O)c2ccc(F)cc2)cc1C.
What is the InChIKey of (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is WPUADGCMUGLQPG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22F4N2O2/c1-15-3-9-20(13-16(15)2)30(23(32)22(31)18-5-7-19(25)8-6-18)12-11-17-4-10-21(29-14-17)24(26,27)28/h3-10,13-14,22,31H,11-12H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
(2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 446.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 44546250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).