7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide

C14H15BrN2O2 — CID 107422643

IUPAC7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCC1(NC(=O)c2cc3cccc(Br)c3o2)CCNC1
InChIInChI=1S/C14H15BrN2O2/c1-14(5-6-16-8-14)17-13(18)11-7-9-3-2-4-10(15)12(9)19-11/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyWULAYSIZMBUPGK-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds2

About 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide

7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 107422643) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
PubChem CID107422643
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCC1(NC(=O)c2cc3cccc(Br)c3o2)CCNC1
InChIInChI=1S/C14H15BrN2O2/c1-14(5-6-16-8-14)17-13(18)11-7-9-3-2-4-10(15)12(9)19-11/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyWULAYSIZMBUPGK-UHFFFAOYSA-N
XLogP2.68
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61218012
methyl 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 38939482
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
3-hydroxy-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107423037
N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide
CID 107423013
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide (CID 107422643) is 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide is CC1(NC(=O)c2cc3cccc(Br)c3o2)CCNC1.
What is the InChIKey of 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WULAYSIZMBUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-14(5-6-16-8-14)17-13(18)11-7-9-3-2-4-10(15)12(9)19-11/h2-4,7,16H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide?
7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107422643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).