4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline

C15H11BrCl2FNO — CID 66365266

About 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline

4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline (PubChem CID 66365266) has the molecular formula C15H11BrCl2FNO and a molecular weight of 391.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline.

Molecular Properties

• Compound Name: 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
• PubChem CID: 66365266
• Molecular Formula: C15H11BrCl2FNO
• Molecular Weight: 391.07 g/mol
• Exact Mass: 388.94
• IUPAC Name: 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
• SMILES: Fc1ccc2c(c1)CC(CNc1c(Cl)cc(Br)cc1Cl)O2
• InChI: InChI=1S/C15H11BrCl2FNO/c16-9-5-12(17)15(13(18)6-9)20-7-11-4-8-3-10(19)1-2-14(8)21-11/h1-3,5-6,11,20H,4,7H2
• InChIKey: ADZFOOIZMAOYOG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.07
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline?

The IUPAC name of 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline (CID 66365266) is 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline.

What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline?

The canonical SMILES for 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline is Fc1ccc2c(c1)CC(CNc1c(Cl)cc(Br)cc1Cl)O2.

What is the InChIKey of 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline?

The InChIKey is ADZFOOIZMAOYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2FNO/c16-9-5-12(17)15(13(18)6-9)20-7-11-4-8-3-10(19)1-2-14(8)21-11/h1-3,5-6,11,20H,4,7H2.

What are the key properties of 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline?

4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline has a molecular weight of 391.07 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline is sourced from PubChem (CID 66365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).