5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C14H16BrNO3 — CID 164642952

IUPAC5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)C1COc2ccc(Br)cc21
InChIInChI=1S/C14H16BrNO3/c15-8-4-5-13-9(6-8)10(7-19-13)14(18)16-11-2-1-3-12(11)17/h4-6,10-12,17H,1-3,7H2,(H,16,18)/t10?,11-,12-/m0/s1
InChIKeyOSUICGDBKUMKJE-RAMGSTBQSA-N
MW326.19 g/mol
LogP1.95
Rot. Bonds2

About 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 164642952) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID164642952
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)C1COc2ccc(Br)cc21
InChIInChI=1S/C14H16BrNO3/c15-8-4-5-13-9(6-8)10(7-19-13)14(18)16-11-2-1-3-12(11)17/h4-6,10-12,17H,1-3,7H2,(H,16,18)/t10?,11-,12-/m0/s1
InChIKeyOSUICGDBKUMKJE-RAMGSTBQSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 164642952) is 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(N[C@H]1CCC[C@@H]1O)C1COc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is OSUICGDBKUMKJE-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-8-4-5-13-9(6-8)10(7-19-13)14(18)16-11-2-1-3-12(11)17/h4-6,10-12,17H,1-3,7H2,(H,16,18)/t10?,11-,12-/m0/s1.
What are the key properties of 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2S)-2-hydroxycyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 164642952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).