2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide

C18H17F3N2O — CID 110443232

IUPAC2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)CN(CCc1ccccc1)C2)C(F)(F)F
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)17(24)22-16-7-6-14-11-23(12-15(14)10-16)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,24)
InChIKeyOLQYZAYOZMOCAX-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.75
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide (PubChem CID 110443232) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide
PubChem CID110443232
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)CN(CCc1ccccc1)C2)C(F)(F)F
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)17(24)22-16-7-6-14-11-23(12-15(14)10-16)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,24)
InChIKeyOLQYZAYOZMOCAX-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide (CID 110443232) is 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide is O=C(Nc1ccc2c(c1)CN(CCc1ccccc1)C2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide?
The InChIKey is OLQYZAYOZMOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)17(24)22-16-7-6-14-11-23(12-15(14)10-16)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]acetamide is sourced from PubChem (CID 110443232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).