2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide

C18H15BrN2O2 — CID 17012064

IUPAC2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)o1
InChIInChI=1S/C18H15BrN2O2/c1-13-9-10-14(23-13)12-21(17-8-4-5-11-20-17)18(22)15-6-2-3-7-16(15)19/h2-11H,12H2,1H3
InChIKeyLKAVZBYHTUYAPD-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.59
Rot. Bonds4

About 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide

2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide (PubChem CID 17012064) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
PubChem CID17012064
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)o1
InChIInChI=1S/C18H15BrN2O2/c1-13-9-10-14(23-13)12-21(17-8-4-5-11-20-17)18(22)15-6-2-3-7-16(15)19/h2-11H,12H2,1H3
InChIKeyLKAVZBYHTUYAPD-UHFFFAOYSA-N
XLogP4.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide (CID 17012064) is 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide is Cc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)o1.
What is the InChIKey of 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is LKAVZBYHTUYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-13-9-10-14(23-13)12-21(17-8-4-5-11-20-17)18(22)15-6-2-3-7-16(15)19/h2-11H,12H2,1H3.
What are the key properties of 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 371.23 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 17012064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).