4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

C13H13BrN2O2 — CID 112530743

IUPAC4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C13H13BrN2O2/c14-10-2-1-3-11-9(10)6-12(18-11)13(17)16-8-4-5-15-7-8/h1-3,6,8,15H,4-5,7H2,(H,16,17)
InChIKeyBETAWJWWNCADOB-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.29
Rot. Bonds2

About 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 112530743) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
PubChem CID112530743
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C13H13BrN2O2/c14-10-2-1-3-11-9(10)6-12(18-11)13(17)16-8-4-5-15-7-8/h1-3,6,8,15H,4-5,7H2,(H,16,17)
InChIKeyBETAWJWWNCADOB-UHFFFAOYSA-N
XLogP2.29
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-piperidin-4-ylchromene-2-carboxamide
CID 43345718
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119451100
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (CID 112530743) is 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is O=C(NC1CCNC1)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is BETAWJWWNCADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-2-1-3-11-9(10)6-12(18-11)13(17)16-8-4-5-15-7-8/h1-3,6,8,15H,4-5,7H2,(H,16,17).
What are the key properties of 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112530743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).