2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

C21H18F3NO3 — CID 90498004

IUPAC2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3NO3/c22-21(23,24)20(27,17-8-2-1-3-9-17)14-25-19(26)13-28-18-11-10-15-6-4-5-7-16(15)12-18/h1-12,27H,13-14H2,(H,25,26)
InChIKeyLOTPSFRGXRWBMH-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.78
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 90498004) has the molecular formula C21H18F3NO3 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
PubChem CID90498004
Molecular FormulaC21H18F3NO3
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC Name2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18F3NO3/c22-21(23,24)20(27,17-8-2-1-3-9-17)14-25-19(26)13-28-18-11-10-15-6-4-5-7-16(15)12-18/h1-12,27H,13-14H2,(H,25,26)
InChIKeyLOTPSFRGXRWBMH-UHFFFAOYSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
CID 95984383
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
CID 90599167
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (CID 90498004) is 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is O=C(COc1ccc2ccccc2c1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is LOTPSFRGXRWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3/c22-21(23,24)20(27,17-8-2-1-3-9-17)14-25-19(26)13-28-18-11-10-15-6-4-5-7-16(15)12-18/h1-12,27H,13-14H2,(H,25,26).
What are the key properties of 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 389.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is sourced from PubChem (CID 90498004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).