6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide

C9H8BrNO2 — CID 173469821

IUPAC6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2ccc(Br)cc2O1
InChIInChI=1S/C9H8BrNO2/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H2,11,12)
InChIKeyGSQKRQRXZKSMLB-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.24
Rot. Bonds1

About 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide

6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 173469821) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID173469821
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2ccc(Br)cc2O1
InChIInChI=1S/C9H8BrNO2/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H2,11,12)
InChIKeyGSQKRQRXZKSMLB-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide (CID 173469821) is 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1Cc2ccc(Br)cc2O1.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GSQKRQRXZKSMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H2,11,12).
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 242.07 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 173469821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).