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

C18H15BrN2O3 — CID 1269632

IUPAC5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)
InChIKeyKZPYDKMYCWKOMW-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.95
Rot. Bonds6

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

5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 1269632) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID1269632
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)
InChIKeyKZPYDKMYCWKOMW-UHFFFAOYSA-N
XLogP3.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.95
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-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 1269632) is 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is KZPYDKMYCWKOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 3.95, 6 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-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1269632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).