N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide

C13H13BrN2O2 — CID 116813642

IUPACN-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2occc2C)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-5-9(14)11(10(15)6-7)16-13(17)12-8(2)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyGSXHNNRAOJSCQY-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.49
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide (PubChem CID 116813642) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
PubChem CID116813642
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2occc2C)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-5-9(14)11(10(15)6-7)16-13(17)12-8(2)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyGSXHNNRAOJSCQY-UHFFFAOYSA-N
XLogP3.49
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.49
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-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 60794252
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide (CID 116813642) is N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide is Cc1cc(N)c(NC(=O)c2occc2C)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is GSXHNNRAOJSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-5-9(14)11(10(15)6-7)16-13(17)12-8(2)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 116813642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).