2-bromo-N-(furan-2-ylmethyl)benzamide

C12H10BrNO2 — CID 721318

IUPAC2-bromo-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1Br
InChIInChI=1S/C12H10BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)
InChIKeySOBQMAPZTVNYBB-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-N-(furan-2-ylmethyl)benzamide

2-bromo-N-(furan-2-ylmethyl)benzamide (PubChem CID 721318) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)benzamide
PubChem CID721318
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-bromo-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1Br
InChIInChI=1S/C12H10BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15)
InChIKeySOBQMAPZTVNYBB-UHFFFAOYSA-N
XLogP2.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)benzamide (CID 721318) is 2-bromo-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SOBQMAPZTVNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8H2,(H,14,15).
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)benzamide?
2-bromo-N-(furan-2-ylmethyl)benzamide has a molecular weight of 280.12 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 721318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).