3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide

C17H16F3NO3 — CID 10854541

IUPAC3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(C(O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,14,22,24H,1H3,(H,21,23)
InChIKeyOTIYJMQUGACEOS-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.02
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide

3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 10854541) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide
PubChem CID10854541
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(C(O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,14,22,24H,1H3,(H,21,23)
InChIKeyOTIYJMQUGACEOS-UHFFFAOYSA-N
XLogP3.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide (CID 10854541) is 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(C(O)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is OTIYJMQUGACEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,14,22,24H,1H3,(H,21,23).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide?
3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 339.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-[4-[hydroxy(phenyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 10854541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).