1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide

C15H10BrNO3 — CID 101092549

IUPAC1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)OC(=O)c2ccccc21
InChIInChI=1S/C15H10BrNO3/c16-10-5-3-4-9(8-10)15(14(17)19)12-7-2-1-6-11(12)13(18)20-15/h1-8H,(H2,17,19)
InChIKeyKBBJJBZMUOEUKF-UHFFFAOYSA-N
MW332.15 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide

1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide (PubChem CID 101092549) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide
PubChem CID101092549
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)OC(=O)c2ccccc21
InChIInChI=1S/C15H10BrNO3/c16-10-5-3-4-9(8-10)15(14(17)19)12-7-2-1-6-11(12)13(18)20-15/h1-8H,(H2,17,19)
InChIKeyKBBJJBZMUOEUKF-UHFFFAOYSA-N
XLogP2.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide (CID 101092549) is 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide is NC(=O)C1(c2cccc(Br)c2)OC(=O)c2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide?
The InChIKey is KBBJJBZMUOEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c16-10-5-3-4-9(8-10)15(14(17)19)12-7-2-1-6-11(12)13(18)20-15/h1-8H,(H2,17,19).
What are the key properties of 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide?
1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide has a molecular weight of 332.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide is sourced from PubChem (CID 101092549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).