2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide

C21H24F3NO2 — CID 139123771

IUPAC2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide
SMILESCC[C@@](C)(c1ccc(OC)cc1)[C@](C)(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-5-19(2,15-11-13-17(27-4)14-12-15)20(3,16-9-7-6-8-10-16)25-18(26)21(22,23)24/h6-14H,5H2,1-4H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyVMNAUKYBMOAXIV-VQTJNVASSA-N
MW379.42 g/mol
LogP4.96
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide (PubChem CID 139123771) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide
PubChem CID139123771
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide
SMILESCC[C@@](C)(c1ccc(OC)cc1)[C@](C)(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-5-19(2,15-11-13-17(27-4)14-12-15)20(3,16-9-7-6-8-10-16)25-18(26)21(22,23)24/h6-14H,5H2,1-4H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyVMNAUKYBMOAXIV-VQTJNVASSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-1-yl)-ethyl]-acetamide
CID 9841851
N-[2-(2-Benzyl-6-methoxy-3H-inden-1-yl)-ethyl]-2,2,2-trifluoro-acetamide
CID 11100842
4-[4-(Difluoromethoxy)phenyl]-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 78121022
4-(4-Methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 78121060
4-(4-Methylphenyl)-6-oxo-2-(trifluoromethyl)-2-[4-(3,3,3-trifluoropropoxy)phenyl]-1,3-dihydropyridine-5-carbonitrile
CID 78121061
2-(4-Butoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 89599410
2-(4-Methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362689
2-[4-(3-Methylbutoxy)phenyl]-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362695
2-[4-(4-Methoxyphenyl)phenyl]-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362697
4-(4-Methoxyphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362720
4-(4-Fluorophenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362722
6-Oxo-4-phenyl-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362726

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide (CID 139123771) is 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide is CC[C@@](C)(c1ccc(OC)cc1)[C@](C)(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide?
The InChIKey is VMNAUKYBMOAXIV-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-5-19(2,15-11-13-17(27-4)14-12-15)20(3,16-9-7-6-8-10-16)25-18(26)21(22,23)24/h6-14H,5H2,1-4H3,(H,25,26)/t19-,20+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3S)-3-(4-methoxyphenyl)-3-methyl-2-phenylpentan-2-yl]acetamide is sourced from PubChem (CID 139123771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).