N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide

C16H17BrN2O2 — CID 106853183

IUPACN-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c17-15-14(7-9-21-15)16(20)18-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,18,20)
InChIKeyJDSHNJJBUCWVQT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.05
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide (PubChem CID 106853183) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
PubChem CID106853183
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c17-15-14(7-9-21-15)16(20)18-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,18,20)
InChIKeyJDSHNJJBUCWVQT-UHFFFAOYSA-N
XLogP3.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21330045
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
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N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
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N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 94172282
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide (CID 106853183) is N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccoc1Br.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide?
The InChIKey is JDSHNJJBUCWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-14(7-9-21-15)16(20)18-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H,18,20).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106853183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).