(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone

C19H16FNO2 — CID 58759560

IUPAC(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H16FNO2/c20-14-7-3-6-13(8-14)18(22)19-17(21)15-9-11-4-1-2-5-12(11)10-16(15)23-19/h3,6-10H,1-2,4-5,21H2
InChIKeyFPNJLBRKJLOUGS-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.26
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone

(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone (PubChem CID 58759560) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
PubChem CID58759560
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone
SMILESNc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H16FNO2/c20-14-7-3-6-13(8-14)18(22)19-17(21)15-9-11-4-1-2-5-12(11)10-16(15)23-19/h3,6-10H,1-2,4-5,21H2
InChIKeyFPNJLBRKJLOUGS-UHFFFAOYSA-N
XLogP4.26
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone (CID 58759560) is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone is Nc1c(C(=O)c2cccc(F)c2)oc2cc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
The InChIKey is FPNJLBRKJLOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-14-7-3-6-13(8-14)18(22)19-17(21)15-9-11-4-1-2-5-12(11)10-16(15)23-19/h3,6-10H,1-2,4-5,21H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone?
(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone has a molecular weight of 309.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 58759560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).