N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide

C17H13BrN2O2 — CID 2909522

IUPACN-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H13BrN2O2/c18-15-10-9-14(22-15)17(21)20(16-8-4-5-11-19-16)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyHFRBKRDEDCCWBD-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.28
Rot. Bonds4

About N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide

N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide (PubChem CID 2909522) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide
PubChem CID2909522
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H13BrN2O2/c18-15-10-9-14(22-15)17(21)20(16-8-4-5-11-19-16)12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyHFRBKRDEDCCWBD-UHFFFAOYSA-N
XLogP4.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide?
The IUPAC name of N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide (CID 2909522) is N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide is O=C(c1ccc(Br)o1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide?
The InChIKey is HFRBKRDEDCCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-15-10-9-14(22-15)17(21)20(16-8-4-5-11-19-16)12-13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide?
N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-pyridin-2-ylfuran-2-carboxamide is sourced from PubChem (CID 2909522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).