2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide

C21H24F3NO2 — CID 134950061

IUPAC2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide
SMILESCc1ccc([C@H](NC(=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO2/c1-14-10-12-15(13-11-14)17(25-18(26)19(2,3)4)20(27,21(22,23)24)16-8-6-5-7-9-16/h5-13,17,27H,1-4H3,(H,25,26)/t17-,20+/m0/s1
InChIKeySUYRPOJOFWMADI-FXAWDEMLSA-N
MW379.42 g/mol
LogP4.65
Rot. Bonds4

About 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide

2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide (PubChem CID 134950061) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide
PubChem CID134950061
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide
SMILESCc1ccc([C@H](NC(=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO2/c1-14-10-12-15(13-11-14)17(25-18(26)19(2,3)4)20(27,21(22,23)24)16-8-6-5-7-9-16/h5-13,17,27H,1-4H3,(H,25,26)/t17-,20+/m0/s1
InChIKeySUYRPOJOFWMADI-FXAWDEMLSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide with MolForge

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Related Compounds

SR1555
CID 71470549
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CID 5151076
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CID 26746
2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764205
N1-(4-fluorobenzyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764243
1-Benzyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
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CID 56765346

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide (CID 134950061) is 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide is Cc1ccc([C@H](NC(=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide?
The InChIKey is SUYRPOJOFWMADI-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-14-10-12-15(13-11-14)17(25-18(26)19(2,3)4)20(27,21(22,23)24)16-8-6-5-7-9-16/h5-13,17,27H,1-4H3,(H,25,26)/t17-,20+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide?
2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide has a molecular weight of 379.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propanamide is sourced from PubChem (CID 134950061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).