3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide

C13H10Br3NO2 — CID 107980321

IUPAC3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br3NO2/c1-17(7-11-2-3-12(16)19-11)13(18)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3
InChIKeyLSRAFNALYHTJCE-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.84
Rot. Bonds3

About 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide

3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide (PubChem CID 107980321) has the molecular formula C13H10Br3NO2 and a molecular weight of 451.94 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
PubChem CID107980321
Molecular FormulaC13H10Br3NO2
Molecular Weight451.94 g/mol
Exact Mass448.83
IUPAC Name3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br3NO2/c1-17(7-11-2-3-12(16)19-11)13(18)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3
InChIKeyLSRAFNALYHTJCE-UHFFFAOYSA-N
XLogP4.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 78868085
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
N-[(5-bromofuran-2-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 91938717
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide (CID 107980321) is 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide is CN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide?
The InChIKey is LSRAFNALYHTJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO2/c1-17(7-11-2-3-12(16)19-11)13(18)8-4-9(14)6-10(15)5-8/h2-6H,7H2,1H3.
What are the key properties of 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide?
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide has a molecular weight of 451.94 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107980321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).