N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide

C19H14F6N2O3 — CID 155543287

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c1-17(29,10-30-14-4-2-3-12(7-14)18(20,21)22)16(28)27-13-6-5-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)
InChIKeyBURBVLAOJVWOHT-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.36
Rot. Bonds5

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 155543287) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID155543287
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c1-17(29,10-30-14-4-2-3-12(7-14)18(20,21)22)16(28)27-13-6-5-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)
InChIKeyBURBVLAOJVWOHT-UHFFFAOYSA-N
XLogP4.36
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide (CID 155543287) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide is CC(O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is BURBVLAOJVWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c1-17(29,10-30-14-4-2-3-12(7-14)18(20,21)22)16(28)27-13-6-5-11(9-26)15(8-13)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 432.32 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 155543287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).