N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide

C17H16F3NO3 — CID 71327772

IUPACN-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESCC(CO)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-11(10-22)24-13-6-4-5-12(9-13)21-16(23)14-7-2-3-8-15(14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H,21,23)
InChIKeyKOCLZKSIDCIFDY-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide

N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 71327772) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID71327772
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESCC(CO)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-11(10-22)24-13-6-4-5-12(9-13)21-16(23)14-7-2-3-8-15(14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H,21,23)
InChIKeyKOCLZKSIDCIFDY-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide (CID 71327772) is N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide is CC(CO)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KOCLZKSIDCIFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11(10-22)24-13-6-4-5-12(9-13)21-16(23)14-7-2-3-8-15(14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H,21,23).
What are the key properties of N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide?
N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71327772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).