(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

C16H12FNO3 — CID 685511

IUPAC(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(F)cc3)c(N)c2c1
InChIInChI=1S/C16H12FNO3/c1-20-11-6-7-13-12(8-11)14(18)16(21-13)15(19)9-2-4-10(17)5-3-9/h2-8H,18H2,1H3
InChIKeyHSZPREOPUKWNSF-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.39
Rot. Bonds3

About (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (PubChem CID 685511) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
PubChem CID685511
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
SMILESCOc1ccc2oc(C(=O)c3ccc(F)cc3)c(N)c2c1
InChIInChI=1S/C16H12FNO3/c1-20-11-6-7-13-12(8-11)14(18)16(21-13)15(19)9-2-4-10(17)5-3-9/h2-8H,18H2,1H3
InChIKeyHSZPREOPUKWNSF-UHFFFAOYSA-N
XLogP3.39
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone (CID 685511) is (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is COc1ccc2oc(C(=O)c3ccc(F)cc3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is HSZPREOPUKWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-20-11-6-7-13-12(8-11)14(18)16(21-13)15(19)9-2-4-10(17)5-3-9/h2-8H,18H2,1H3.
What are the key properties of (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone?
(3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 285.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 685511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).