5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide

C12H9Br2NO3 — CID 51130825

IUPAC5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C12H9Br2NO3/c1-17-7-2-3-8(13)9(6-7)15-12(16)10-4-5-11(14)18-10/h2-6H,1H3,(H,15,16)
InChIKeyAQLQBJOFXVBTKO-UHFFFAOYSA-N
MW375.02 g/mol
LogP4.07
Rot. Bonds3

About 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide

5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide (PubChem CID 51130825) has the molecular formula C12H9Br2NO3 and a molecular weight of 375.02 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
PubChem CID51130825
Molecular FormulaC12H9Br2NO3
Molecular Weight375.02 g/mol
Exact Mass372.89
IUPAC Name5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C12H9Br2NO3/c1-17-7-2-3-8(13)9(6-7)15-12(16)10-4-5-11(14)18-10/h2-6H,1H3,(H,15,16)
InChIKeyAQLQBJOFXVBTKO-UHFFFAOYSA-N
XLogP4.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide
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5-bromo-N-(2-methoxy-5-methyl-3-pyridinyl)furan-2-carboxamide
CID 71983273
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
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CID 2539105
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide (CID 51130825) is 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide is COc1ccc(Br)c(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide?
The InChIKey is AQLQBJOFXVBTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO3/c1-17-7-2-3-8(13)9(6-7)15-12(16)10-4-5-11(14)18-10/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide?
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide has a molecular weight of 375.02 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 51130825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).