7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

C20H13BrN2O4 — CID 38938788

IUPAC7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1)c1ccco1
InChIInChI=1S/C20H13BrN2O4/c21-15-7-1-4-12-10-17(27-18(12)15)20(25)23-14-6-2-5-13(11-14)22-19(24)16-8-3-9-26-16/h1-11H,(H,22,24)(H,23,25)
InChIKeyNPCSVRSOQTZHKE-UHFFFAOYSA-N
MW425.24 g/mol
LogP5.29
Rot. Bonds4

About 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 38938788) has the molecular formula C20H13BrN2O4 and a molecular weight of 425.24 g/mol. Its IUPAC name is 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID38938788
Molecular FormulaC20H13BrN2O4
Molecular Weight425.24 g/mol
Exact Mass424.01
IUPAC Name7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1)c1ccco1
InChIInChI=1S/C20H13BrN2O4/c21-15-7-1-4-12-10-17(27-18(12)15)20(25)23-14-6-2-5-13(11-14)22-19(24)16-8-3-9-26-16/h1-11H,(H,22,24)(H,23,25)
InChIKeyNPCSVRSOQTZHKE-UHFFFAOYSA-N
XLogP5.29
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.24
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (CID 38938788) is 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1)c1ccco1.
What is the InChIKey of 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NPCSVRSOQTZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O4/c21-15-7-1-4-12-10-17(27-18(12)15)20(25)23-14-6-2-5-13(11-14)22-19(24)16-8-3-9-26-16/h1-11H,(H,22,24)(H,23,25).
What are the key properties of 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 425.24 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38938788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).