N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide

C17H13F6NO2 — CID 71781983

IUPACN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)13-9-5-4-8-12(13)14(25)24-10-15(26,17(21,22)23)11-6-2-1-3-7-11/h1-9,26H,10H2,(H,24,25)
InChIKeyHBEKSZMTTKHRQW-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.89
Rot. Bonds4

About N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide

N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 71781983) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID71781983
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)13-9-5-4-8-12(13)14(25)24-10-15(26,17(21,22)23)11-6-2-1-3-7-11/h1-9,26H,10H2,(H,24,25)
InChIKeyHBEKSZMTTKHRQW-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide (CID 71781983) is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is HBEKSZMTTKHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)13-9-5-4-8-12(13)14(25)24-10-15(26,17(21,22)23)11-6-2-1-3-7-11/h1-9,26H,10H2,(H,24,25).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide?
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 377.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71781983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).