N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide

C20H16F3NO2 — CID 56764121

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26)
InChIKeyKIPOZKHSPWNDGF-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.32
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide (PubChem CID 56764121) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide
PubChem CID56764121
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26)
InChIKeyKIPOZKHSPWNDGF-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide (CID 56764121) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide is O=C(NCC(O)c1cccc2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is KIPOZKHSPWNDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)17-11-4-3-9-16(17)19(26)24-12-18(25)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,25H,12H2,(H,24,26).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 56764121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).