2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide

C16H14F3NO2 — CID 70292334

IUPAC2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)cc1CCc1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-13-8-9-14(15(20)21)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,20,21)
InChIKeyYVKWYHPRUBUCPB-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide

2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 70292334) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID70292334
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)cc1CCc1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-13-8-9-14(15(20)21)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,20,21)
InChIKeyYVKWYHPRUBUCPB-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide (CID 70292334) is 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide is NC(=O)c1ccc(OC(F)(F)F)cc1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is YVKWYHPRUBUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)22-13-8-9-14(15(20)21)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,20,21).
What are the key properties of 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide?
2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 70292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).