N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide

C12H10Br2N2O2 — CID 43550021

IUPACN-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H10Br2N2O2/c1-6-4-7(13)5-8(15)11(6)16-12(17)9-2-3-10(14)18-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKTYBFPLLFQNUCP-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.95
Rot. Bonds2

About N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide

N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide (PubChem CID 43550021) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
PubChem CID43550021
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H10Br2N2O2/c1-6-4-7(13)5-8(15)11(6)16-12(17)9-2-3-10(14)18-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKTYBFPLLFQNUCP-UHFFFAOYSA-N
XLogP3.95
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
CID 91687418
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
CID 43549971
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide (CID 43550021) is N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide is Cc1cc(Br)cc(N)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide?
The InChIKey is KTYBFPLLFQNUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-6-4-7(13)5-8(15)11(6)16-12(17)9-2-3-10(14)18-9/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide?
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide has a molecular weight of 374.03 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 43550021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).