N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide

C16H13BrN2O2 — CID 43549971

IUPACN-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrN2O2/c1-9-6-11(17)8-12(18)15(9)19-16(20)14-7-10-4-2-3-5-13(10)21-14/h2-8H,18H2,1H3,(H,19,20)
InChIKeyQETWTAMXFAPQCA-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.34
Rot. Bonds2

About N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide

N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 43549971) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID43549971
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrN2O2/c1-9-6-11(17)8-12(18)15(9)19-16(20)14-7-10-4-2-3-5-13(10)21-14/h2-8H,18H2,1H3,(H,19,20)
InChIKeyQETWTAMXFAPQCA-UHFFFAOYSA-N
XLogP4.34
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.34
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-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 17274047
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-[4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17317180
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide (CID 43549971) is N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide is Cc1cc(Br)cc(N)c1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is QETWTAMXFAPQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-9-6-11(17)8-12(18)15(9)19-16(20)14-7-10-4-2-3-5-13(10)21-14/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide?
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 4.34, 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)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43549971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).