N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C22H19F3N2O3 — CID 24590993

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3/c1-12(28)26-16-5-6-19(18(10-16)22(23,24)25)27-21(29)9-15-11-30-20-8-14-4-2-3-13(14)7-17(15)20/h5-8,10-11H,2-4,9H2,1H3,(H,26,28)(H,27,29)
InChIKeyFMNJFSURDYFJSZ-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.08
Rot. Bonds4

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 24590993) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID24590993
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O3/c1-12(28)26-16-5-6-19(18(10-16)22(23,24)25)27-21(29)9-15-11-30-20-8-14-4-2-3-13(14)7-17(15)20/h5-8,10-11H,2-4,9H2,1H3,(H,26,28)(H,27,29)
InChIKeyFMNJFSURDYFJSZ-UHFFFAOYSA-N
XLogP5.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 24590993) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is FMNJFSURDYFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-12(28)26-16-5-6-19(18(10-16)22(23,24)25)27-21(29)9-15-11-30-20-8-14-4-2-3-13(14)7-17(15)20/h5-8,10-11H,2-4,9H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 416.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 24590993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).