N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C18H16F3NO2 — CID 747181

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-2-6-16(10-14)24-11-17(23)22-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,22,23)
InChIKeyWIXCWMHTGHEUHV-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.21
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 747181) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID747181
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-2-6-16(10-14)24-11-17(23)22-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,22,23)
InChIKeyWIXCWMHTGHEUHV-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 747181) is N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is WIXCWMHTGHEUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)14-5-2-6-16(10-14)24-11-17(23)22-15-8-7-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 335.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 747181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).