2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide

C16H17BrN2O2 — CID 106853302

IUPAC2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c17-15-13(7-10-21-15)16(20)18-14-6-2-1-5-12(14)11-19-8-3-4-9-19/h1-2,5-7,10H,3-4,8-9,11H2,(H,18,20)
InChIKeyYSQKWJNODOSOPQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.89
Rot. Bonds4

About 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide

2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide (PubChem CID 106853302) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
PubChem CID106853302
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccoc1Br
InChIInChI=1S/C16H17BrN2O2/c17-15-13(7-10-21-15)16(20)18-14-6-2-1-5-12(14)11-19-8-3-4-9-19/h1-2,5-7,10H,3-4,8-9,11H2,(H,18,20)
InChIKeyYSQKWJNODOSOPQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618473
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131894722
2-bromo-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 106855740
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide (CID 106853302) is 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide is O=C(Nc1ccccc1CN1CCCC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The InChIKey is YSQKWJNODOSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-13(7-10-21-15)16(20)18-14-6-2-1-5-12(14)11-19-8-3-4-9-19/h1-2,5-7,10H,3-4,8-9,11H2,(H,18,20).
What are the key properties of 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106853302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).