6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C16H12BrFN2O2 — CID 86728293

IUPAC6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N)c(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c1-20-16(21)14-10-6-11(17)12(19)7-13(10)22-15(14)8-2-4-9(18)5-3-8/h2-7H,19H2,1H3,(H,20,21)
InChIKeyJCARDXBALRGTKH-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.94
Rot. Bonds2

About 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 86728293) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID86728293
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N)c(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c1-20-16(21)14-10-6-11(17)12(19)7-13(10)22-15(14)8-2-4-9(18)5-3-8/h2-7H,19H2,1H3,(H,20,21)
InChIKeyJCARDXBALRGTKH-UHFFFAOYSA-N
XLogP3.94
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 86728293) is 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N)c(Br)cc12.
What is the InChIKey of 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is JCARDXBALRGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-20-16(21)14-10-6-11(17)12(19)7-13(10)22-15(14)8-2-4-9(18)5-3-8/h2-7H,19H2,1H3,(H,20,21).
What are the key properties of 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 363.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86728293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).