2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide

C10H13BrN2O2 — CID 106853762

IUPAC2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H13BrN2O2/c1-13-4-2-7(6-13)12-10(14)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,12,14)
InChIKeyRZAIFUZZOGHRPP-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.48
Rot. Bonds2

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

2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide (PubChem CID 106853762) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
PubChem CID106853762
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H13BrN2O2/c1-13-4-2-7(6-13)12-10(14)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,12,14)
InChIKeyRZAIFUZZOGHRPP-UHFFFAOYSA-N
XLogP1.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
CID 106853183
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
CID 106899069
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide (CID 106853762) is 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide is CN1CCC(NC(=O)c2ccoc2Br)C1.
What is the InChIKey of 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide?
The InChIKey is RZAIFUZZOGHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13-4-2-7(6-13)12-10(14)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide?
2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 106853762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).