N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide

C16H12Br2N2O2 — CID 17274047

IUPACN-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3o2)cc(Br)c(N)c1Br
InChIInChI=1S/C16H12Br2N2O2/c1-8-11(7-10(17)15(19)14(8)18)20-16(21)13-6-9-4-2-3-5-12(9)22-13/h2-7H,19H2,1H3,(H,20,21)
InChIKeyDZYNAZAQICFBQD-UHFFFAOYSA-N
MW424.09 g/mol
LogP5.10
Rot. Bonds2

About N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide

N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 17274047) has the molecular formula C16H12Br2N2O2 and a molecular weight of 424.09 g/mol. Its IUPAC name is N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID17274047
Molecular FormulaC16H12Br2N2O2
Molecular Weight424.09 g/mol
Exact Mass421.93
IUPAC NameN-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3o2)cc(Br)c(N)c1Br
InChIInChI=1S/C16H12Br2N2O2/c1-8-11(7-10(17)15(19)14(8)18)20-16(21)13-6-9-4-2-3-5-12(9)22-13/h2-7H,19H2,1H3,(H,20,21)
InChIKeyDZYNAZAQICFBQD-UHFFFAOYSA-N
XLogP5.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.09
LogP ≤ 55.10
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

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CID 43549971
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide (CID 17274047) is N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide is Cc1c(NC(=O)c2cc3ccccc3o2)cc(Br)c(N)c1Br.
What is the InChIKey of N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DZYNAZAQICFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O2/c1-8-11(7-10(17)15(19)14(8)18)20-16(21)13-6-9-4-2-3-5-12(9)22-13/h2-7H,19H2,1H3,(H,20,21).
What are the key properties of N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide?
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 424.09 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17274047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).