[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone

C19H17BrFNO2 — CID 130281444

IUPAC[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone
SMILESCCCCNc1oc2ccc(Br)cc2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17BrFNO2/c1-2-3-10-22-19-17(15-11-13(20)6-9-16(15)24-19)18(23)12-4-7-14(21)8-5-12/h4-9,11,22H,2-3,10H2,1H3
InChIKeyARIQADLUCGCDEU-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.78
Rot. Bonds6

About [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone

[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone (PubChem CID 130281444) has the molecular formula C19H17BrFNO2 and a molecular weight of 390.25 g/mol. Its IUPAC name is [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone
PubChem CID130281444
Molecular FormulaC19H17BrFNO2
Molecular Weight390.25 g/mol
Exact Mass389.04
IUPAC Name[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone
SMILESCCCCNc1oc2ccc(Br)cc2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17BrFNO2/c1-2-3-10-22-19-17(15-11-13(20)6-9-16(15)24-19)18(23)12-4-7-14(21)8-5-12/h4-9,11,22H,2-3,10H2,1H3
InChIKeyARIQADLUCGCDEU-UHFFFAOYSA-N
XLogP5.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone (CID 130281444) is [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone is CCCCNc1oc2ccc(Br)cc2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is ARIQADLUCGCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFNO2/c1-2-3-10-22-19-17(15-11-13(20)6-9-16(15)24-19)18(23)12-4-7-14(21)8-5-12/h4-9,11,22H,2-3,10H2,1H3.
What are the key properties of [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone?
[5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 390.25 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(butylamino)-1-benzofuran-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 130281444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).