5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide

C17H13BrN2O3 — CID 90596276

IUPAC5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H13BrN2O3/c18-15-8-7-14(23-15)17(21)20-11-12-4-3-5-13(10-12)22-16-6-1-2-9-19-16/h1-10H,11H2,(H,20,21)
InChIKeyRLOJYSNGITTYPI-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.16
Rot. Bonds5

About 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide (PubChem CID 90596276) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
PubChem CID90596276
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H13BrN2O3/c18-15-8-7-14(23-15)17(21)20-11-12-4-3-5-13(10-12)22-16-6-1-2-9-19-16/h1-10H,11H2,(H,20,21)
InChIKeyRLOJYSNGITTYPI-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide (CID 90596276) is 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide is O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is RLOJYSNGITTYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-15-8-7-14(23-15)17(21)20-11-12-4-3-5-13(10-12)22-16-6-1-2-9-19-16/h1-10H,11H2,(H,20,21).
What are the key properties of 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 90596276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).