2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide

C19H14F6N2O3 — CID 22594224

IUPAC2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)12-3-10(4-13(6-12)19(23,24)25)9-30-14-1-2-15-11(5-14)7-27(17(15)29)8-16(26)28/h1-6H,7-9H2,(H2,26,28)
InChIKeyPVPYPMGYJFFZGB-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.74
Rot. Bonds5

About 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide

2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide (PubChem CID 22594224) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
PubChem CID22594224
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC Name2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)12-3-10(4-13(6-12)19(23,24)25)9-30-14-1-2-15-11(5-14)7-27(17(15)29)8-16(26)28/h1-6H,7-9H2,(H2,26,28)
InChIKeyPVPYPMGYJFFZGB-UHFFFAOYSA-N
XLogP3.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The IUPAC name of 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide (CID 22594224) is 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The canonical SMILES for 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide is NC(=O)CN1Cc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2C1=O.
What is the InChIKey of 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
The InChIKey is PVPYPMGYJFFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c20-18(21,22)12-3-10(4-13(6-12)19(23,24)25)9-30-14-1-2-15-11(5-14)7-27(17(15)29)8-16(26)28/h1-6H,7-9H2,(H2,26,28).
What are the key properties of 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide?
2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide has a molecular weight of 432.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 22594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).