5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide

C15H9BrN2O4 — CID 19225383

IUPAC5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H9BrN2O4/c16-10-1-6-13-9(7-10)8-14(22-13)15(19)17-11-2-4-12(5-3-11)18(20)21/h1-8H,(H,17,19)
InChIKeyRJUUQLNBSQGRDP-UHFFFAOYSA-N
MW361.15 g/mol
LogP4.36
Rot. Bonds3

About 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide (PubChem CID 19225383) has the molecular formula C15H9BrN2O4 and a molecular weight of 361.15 g/mol. Its IUPAC name is 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
PubChem CID19225383
Molecular FormulaC15H9BrN2O4
Molecular Weight361.15 g/mol
Exact Mass359.97
IUPAC Name5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H9BrN2O4/c16-10-1-6-13-9(7-10)8-14(22-13)15(19)17-11-2-4-12(5-3-11)18(20)21/h1-8H,(H,17,19)
InChIKeyRJUUQLNBSQGRDP-UHFFFAOYSA-N
XLogP4.36
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.15
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 18876031
6-bromo-N-[4-[(4-nitrophenyl)diazenyl]phenyl]-2-oxochromene-3-carboxamide
CID 21240129
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-[4-(4-nitrophenyl)sulfanylphenyl]-1-benzofuran-2-carboxamide
CID 17296716
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
5-nitro-N-quinolin-6-yl-1-benzofuran-2-carboxamide
CID 936671
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
5-bromo-N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 75398873
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide (CID 19225383) is 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RJUUQLNBSQGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O4/c16-10-1-6-13-9(7-10)8-14(22-13)15(19)17-11-2-4-12(5-3-11)18(20)21/h1-8H,(H,17,19).
What are the key properties of 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 361.15 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).