(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide

C26H27F4N3O2 — CID 25098464

IUPAC(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESCc1cc([C@H](CCc2ccc(C(F)(F)F)nc2)N[C@@H](C(=O)NCCO)c2ccccc2)ccc1F
InChIInChI=1S/C26H27F4N3O2/c1-17-15-20(9-10-21(17)27)22(11-7-18-8-12-23(32-16-18)26(28,29)30)33-24(25(35)31-13-14-34)19-5-3-2-4-6-19/h2-6,8-10,12,15-16,22,24,33-34H,7,11,13-14H2,1H3,(H,31,35)/t22-,24+/m0/s1
InChIKeyRCPVXXNIKLKPMD-LADGPHEKSA-N
MW489.51 g/mol
LogP4.66
Rot. Bonds10

About (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide

(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide (PubChem CID 25098464) has the molecular formula C26H27F4N3O2 and a molecular weight of 489.51 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide
PubChem CID25098464
Molecular FormulaC26H27F4N3O2
Molecular Weight489.51 g/mol
Exact Mass489.20
IUPAC Name(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESCc1cc([C@H](CCc2ccc(C(F)(F)F)nc2)N[C@@H](C(=O)NCCO)c2ccccc2)ccc1F
InChIInChI=1S/C26H27F4N3O2/c1-17-15-20(9-10-21(17)27)22(11-7-18-8-12-23(32-16-18)26(28,29)30)33-24(25(35)31-13-14-34)19-5-3-2-4-6-19/h2-6,8-10,12,15-16,22,24,33-34H,7,11,13-14H2,1H3,(H,31,35)/t22-,24+/m0/s1
InChIKeyRCPVXXNIKLKPMD-LADGPHEKSA-N
XLogP4.66
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 68766919
(2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 70294127
(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 25098463
2-[[(1R)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766346
(2S)-2-[[(1R)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 25097908
(2S)-2-[[(1S)-1-(3,4-dimethylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766345
(2S)-2-(3,5-difluorophenyl)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 87566559
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)-4-[6-(trifluoromethyl)-3-pyridinyl]butyl]amino]-N-methyl-2-phenylacetamide
CID 163493716
(2S)-2-[[(1S)-1-(4-chloro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 25097635
2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide
CID 68765406
2-(2,5-difluorophenyl)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 87565504
(2R)-N-methyl-2-[[1-(3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 162555657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide (CID 25098464) is (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide is Cc1cc([C@H](CCc2ccc(C(F)(F)F)nc2)N[C@@H](C(=O)NCCO)c2ccccc2)ccc1F.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide?
The InChIKey is RCPVXXNIKLKPMD-LADGPHEKSA-N. The full InChI is InChI=1S/C26H27F4N3O2/c1-17-15-20(9-10-21(17)27)22(11-7-18-8-12-23(32-16-18)26(28,29)30)33-24(25(35)31-13-14-34)19-5-3-2-4-6-19/h2-6,8-10,12,15-16,22,24,33-34H,7,11,13-14H2,1H3,(H,31,35)/t22-,24+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide?
(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide has a molecular weight of 489.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-(2-hydroxyethyl)-2-phenylacetamide is sourced from PubChem (CID 25098464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).