5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

C13H12Br2N2O2 — CID 119451100

IUPAC5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C13H12Br2N2O2/c14-8-3-7-4-11(19-12(7)10(15)5-8)13(18)17-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2,(H,17,18)
InChIKeyZNIOSJGTVBLAKC-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.05
Rot. Bonds2

About 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 119451100) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
PubChem CID119451100
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C13H12Br2N2O2/c14-8-3-7-4-11(19-12(7)10(15)5-8)13(18)17-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2,(H,17,18)
InChIKeyZNIOSJGTVBLAKC-UHFFFAOYSA-N
XLogP3.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 112530743
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
5,7-dibromo-1-benzofuran-2-carboxylate
CID 7062553
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 62380250
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
CID 15350193
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (CID 119451100) is 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is O=C(NC1CCNC1)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is ZNIOSJGTVBLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-8-3-7-4-11(19-12(7)10(15)5-8)13(18)17-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2,(H,17,18).
What are the key properties of 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 388.06 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119451100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).