[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C23H19F2NO6 — CID 29248969

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO6/c24-23(25)32-17-6-4-13(5-7-17)22(29)26-20(27)12-31-21(28)10-16-11-30-19-9-15-3-1-2-14(15)8-18(16)19/h4-9,11,23H,1-3,10,12H2,(H,26,27,29)
InChIKeyVFHRGROJNQUWCM-UHFFFAOYSA-N
MW443.40 g/mol
LogP3.57
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 29248969) has the molecular formula C23H19F2NO6 and a molecular weight of 443.40 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
PubChem CID29248969
Molecular FormulaC23H19F2NO6
Molecular Weight443.40 g/mol
Exact Mass443.12
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
SMILESO=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO6/c24-23(25)32-17-6-4-13(5-7-17)22(29)26-20(27)12-31-21(28)10-16-11-30-19-9-15-3-1-2-14(15)8-18(16)19/h4-9,11,23H,1-3,10,12H2,(H,26,27,29)
InChIKeyVFHRGROJNQUWCM-UHFFFAOYSA-N
XLogP3.57
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 29248969) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
The InChIKey is VFHRGROJNQUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO6/c24-23(25)32-17-6-4-13(5-7-17)22(29)26-20(27)12-31-21(28)10-16-11-30-19-9-15-3-1-2-14(15)8-18(16)19/h4-9,11,23H,1-3,10,12H2,(H,26,27,29).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 443.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 29248969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).