2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

C17H13BrN2O2 — CID 121197121

IUPAC2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccccc1Br
InChIInChI=1S/C17H13BrN2O2/c18-15-5-2-1-4-14(15)17(21)20-10-12-8-13(11-19-9-12)16-6-3-7-22-16/h1-9,11H,10H2,(H,20,21)
InChIKeyFARUYBSBHVTVJU-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.03
Rot. Bonds4

About 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121197121) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121197121
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccccc1Br
InChIInChI=1S/C17H13BrN2O2/c18-15-5-2-1-4-14(15)17(21)20-10-12-8-13(11-19-9-12)16-6-3-7-22-16/h1-9,11H,10H2,(H,20,21)
InChIKeyFARUYBSBHVTVJU-UHFFFAOYSA-N
XLogP4.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (CID 121197121) is 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is O=C(NCc1cncc(-c2ccco2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is FARUYBSBHVTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-15-5-2-1-4-14(15)17(21)20-10-12-8-13(11-19-9-12)16-6-3-7-22-16/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 357.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121197121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).