[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone

C17H12FNO2 — CID 2434409

IUPAC[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone
SMILESNc1oc(-c2ccccc2F)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H12FNO2/c18-14-9-5-4-8-12(14)15-10-13(17(19)21-15)16(20)11-6-2-1-3-7-11/h1-10H,19H2
InChIKeyGRTAYOSKBJKMKY-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.90
Rot. Bonds3

About [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone

[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone (PubChem CID 2434409) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone
PubChem CID2434409
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone
SMILESNc1oc(-c2ccccc2F)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H12FNO2/c18-14-9-5-4-8-12(14)15-10-13(17(19)21-15)16(20)11-6-2-1-3-7-11/h1-10H,19H2
InChIKeyGRTAYOSKBJKMKY-UHFFFAOYSA-N
XLogP3.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone (CID 2434409) is [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone is Nc1oc(-c2ccccc2F)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone?
The InChIKey is GRTAYOSKBJKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-14-9-5-4-8-12(14)15-10-13(17(19)21-15)16(20)11-6-2-1-3-7-11/h1-10H,19H2.
What are the key properties of [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone?
[2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone has a molecular weight of 281.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2-fluorophenyl)furan-3-yl]-phenylmethanone is sourced from PubChem (CID 2434409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).