2,5-dibromo-N-(furan-2-ylmethyl)benzamide

C12H9Br2NO2 — CID 114369742

IUPAC2,5-dibromo-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2NO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyIVAJFXQRWBJQNJ-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.73
Rot. Bonds3

About 2,5-dibromo-N-(furan-2-ylmethyl)benzamide

2,5-dibromo-N-(furan-2-ylmethyl)benzamide (PubChem CID 114369742) has the molecular formula C12H9Br2NO2 and a molecular weight of 359.02 g/mol. Its IUPAC name is 2,5-dibromo-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(furan-2-ylmethyl)benzamide
PubChem CID114369742
Molecular FormulaC12H9Br2NO2
Molecular Weight359.02 g/mol
Exact Mass356.90
IUPAC Name2,5-dibromo-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2NO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyIVAJFXQRWBJQNJ-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
5-[[(2,5-dibromobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114367941
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
2-amino-6-bromo-N-(furan-2-ylmethyl)-4-oxochromene-3-carboxamide
CID 7463349

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(furan-2-ylmethyl)benzamide (CID 114369742) is 2,5-dibromo-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IVAJFXQRWBJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of 2,5-dibromo-N-(furan-2-ylmethyl)benzamide?
2,5-dibromo-N-(furan-2-ylmethyl)benzamide has a molecular weight of 359.02 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 114369742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).