2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone

C20H14FNO2 — CID 607375

IUPAC2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone
SMILESO=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2/c21-14-7-5-13(6-8-14)18(23)12-22-15-9-10-17-16-3-1-2-4-19(16)24-20(17)11-15/h1-11,22H,12H2
InChIKeyFCFNFDBGKLEATE-UHFFFAOYSA-N
MW319.34 g/mol
LogP5.02
Rot. Bonds4

About 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone

2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone (PubChem CID 607375) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone
PubChem CID607375
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone
SMILESO=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2/c21-14-7-5-13(6-8-14)18(23)12-22-15-9-10-17-16-3-1-2-4-19(16)24-20(17)11-15/h1-11,22H,12H2
InChIKeyFCFNFDBGKLEATE-UHFFFAOYSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone (CID 607375) is 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone is O=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1.
What is the InChIKey of 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone?
The InChIKey is FCFNFDBGKLEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c21-14-7-5-13(6-8-14)18(23)12-22-15-9-10-17-16-3-1-2-4-19(16)24-20(17)11-15/h1-11,22H,12H2.
What are the key properties of 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone?
2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone has a molecular weight of 319.34 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzofuran-3-ylamino)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 607375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).