(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

C18H14FNO2 — CID 58759569

IUPAC(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCC3
InChIInChI=1S/C18H14FNO2/c19-14-7-2-1-6-12(14)17(21)18-16(20)13-8-10-4-3-5-11(10)9-15(13)22-18/h1-2,6-9H,3-5,20H2
InChIKeyLQVIWZQKPHJCBX-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.87
Rot. Bonds2

About (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone

(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (PubChem CID 58759569) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
PubChem CID58759569
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCC3
InChIInChI=1S/C18H14FNO2/c19-14-7-2-1-6-12(14)17(21)18-16(20)13-8-10-4-3-5-11(10)9-15(13)22-18/h1-2,6-9H,3-5,20H2
InChIKeyLQVIWZQKPHJCBX-UHFFFAOYSA-N
XLogP3.87
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone (CID 58759569) is (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is Nc1c(C(=O)c2ccccc2F)oc2cc3c(cc12)CCC3.
What is the InChIKey of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is LQVIWZQKPHJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-14-7-2-1-6-12(14)17(21)18-16(20)13-8-10-4-3-5-11(10)9-15(13)22-18/h1-2,6-9H,3-5,20H2.
What are the key properties of (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone?
(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 295.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 58759569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).