2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone

C16H12FNO2 — CID 114736180

IUPAC2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESNc1ccc(CC(=O)c2cc3cc(F)ccc3o2)cc1
InChIInChI=1S/C16H12FNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)7-10-1-4-13(18)5-2-10/h1-6,8-9H,7,18H2
InChIKeyGTSJJQHBSUSPHF-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone

2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 114736180) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID114736180
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESNc1ccc(CC(=O)c2cc3cc(F)ccc3o2)cc1
InChIInChI=1S/C16H12FNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)7-10-1-4-13(18)5-2-10/h1-6,8-9H,7,18H2
InChIKeyGTSJJQHBSUSPHF-UHFFFAOYSA-N
XLogP3.58
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
CID 105132388
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63091479
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
2-bromo-1-(6-fluoro-1-benzofuran-2-yl)ethanone
CID 118068597

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone (CID 114736180) is 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone is Nc1ccc(CC(=O)c2cc3cc(F)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is GTSJJQHBSUSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)7-10-1-4-13(18)5-2-10/h1-6,8-9H,7,18H2.
What are the key properties of 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 269.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114736180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).