5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide

C17H13BrN2O3 — CID 1223128

IUPAC5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H13BrN2O3/c18-14-5-1-2-6-15(14)22-11-13-7-8-16(23-13)17(21)20-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyBIOXSNWBJLKXSP-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.27
Rot. Bonds5

About 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide (PubChem CID 1223128) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
PubChem CID1223128
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H13BrN2O3/c18-14-5-1-2-6-15(14)22-11-13-7-8-16(23-13)17(21)20-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21)
InChIKeyBIOXSNWBJLKXSP-UHFFFAOYSA-N
XLogP4.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide (CID 1223128) is 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide is O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The InChIKey is BIOXSNWBJLKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-14-5-1-2-6-15(14)22-11-13-7-8-16(23-13)17(21)20-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 1223128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).