N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide

C21H18F3NO3 — CID 56765458

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO3/c22-21(23,24)17-8-5-15(6-9-17)19(26)12-25-20(27)13-28-18-10-7-14-3-1-2-4-16(14)11-18/h1-11,19,26H,12-13H2,(H,25,27)
InChIKeyJYJAAEUQUYOTIY-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.09
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 56765458) has the molecular formula C21H18F3NO3 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID56765458
Molecular FormulaC21H18F3NO3
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO3/c22-21(23,24)17-8-5-15(6-9-17)19(26)12-25-20(27)13-28-18-10-7-14-3-1-2-4-16(14)11-18/h1-11,19,26H,12-13H2,(H,25,27)
InChIKeyJYJAAEUQUYOTIY-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9798456
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CID 10163052
CID 10163052
CID 12985493
CID 12985493
CID 12985494
CID 12985494
CID 12985495
CID 12985495
CID 57381767
CID 57381767
CID 12985489
CID 12985489
CID 12985490
CID 12985490
CID 12985496
CID 12985496
CID 24792335
CID 24792335
CID 44359309
CID 44359309
CID 2887605
CID 2887605

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide (CID 56765458) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is JYJAAEUQUYOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3/c22-21(23,24)17-8-5-15(6-9-17)19(26)12-25-20(27)13-28-18-10-7-14-3-1-2-4-16(14)11-18/h1-11,19,26H,12-13H2,(H,25,27).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 389.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 56765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).