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

C9H8BrNO2 — CID 130734966

IUPAC5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H8BrNO2/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H2,11,12)
InChIKeyYMBPJEOYKRFUOY-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.24
Rot. Bonds1

About 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide

5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 130734966) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID130734966
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H8BrNO2/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H2,11,12)
InChIKeyYMBPJEOYKRFUOY-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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Related Compounds

6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 173469821
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 125455814
(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 86722810
6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 102567999
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200868
propan-2-yl 6-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135396958
propan-2-yl (2R)-6-bromo-3,4-dihydro-2H-chromene-2-carboxylate
CID 137347530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide (CID 130734966) is 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1Cc2cc(Br)ccc2O1.
What is the InChIKey of 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YMBPJEOYKRFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H2,11,12).
What are the key properties of 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide?
5-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 5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 130734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).