2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide

C21H18F3NO2 — CID 118675704

IUPAC2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
SMILESO=C(NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3NO2/c22-21(23,24)20(27)25-13-18(19(26)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,26H,13H2,(H,25,27)/t18-,19-/m0/s1
InChIKeyLERREHMDKUQOHK-OALUTQOASA-N
MW373.37 g/mol
LogP4.34
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide

2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide (PubChem CID 118675704) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
PubChem CID118675704
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide
SMILESO=C(NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3NO2/c22-21(23,24)20(27)25-13-18(19(26)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,26H,13H2,(H,25,27)/t18-,19-/m0/s1
InChIKeyLERREHMDKUQOHK-OALUTQOASA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
[(2S,3R)-2-(3,4-dichlorophenyl)-3-hydroxy-3-phenylpropyl]carbamic acid
CID 118675734
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
2-bromo-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N-methylacetamide
CID 118675458
(3R)-3-phenyl-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 96582816
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide (CID 118675704) is 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide is O=C(NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide?
The InChIKey is LERREHMDKUQOHK-OALUTQOASA-N. The full InChI is InChI=1S/C21H18F3NO2/c22-21(23,24)20(27)25-13-18(19(26)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,26H,13H2,(H,25,27)/t18-,19-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide?
2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide has a molecular weight of 373.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]acetamide is sourced from PubChem (CID 118675704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).