5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide

C17H13BrN2O4 — CID 69072127

IUPAC5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccc(Br)cc3c2C(N)=O)c1
InChIInChI=1S/C17H13BrN2O4/c1-23-11-4-2-3-10(8-11)20-17(22)15-14(16(19)21)12-7-9(18)5-6-13(12)24-15/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyBSANRBZTBDYUFF-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.56
Rot. Bonds4

About 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide

5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide (PubChem CID 69072127) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide.

Molecular Properties

Compound Name5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide
PubChem CID69072127
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccc(Br)cc3c2C(N)=O)c1
InChIInChI=1S/C17H13BrN2O4/c1-23-11-4-2-3-10(8-11)20-17(22)15-14(16(19)21)12-7-9(18)5-6-13(12)24-15/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyBSANRBZTBDYUFF-UHFFFAOYSA-N
XLogP3.56
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
5-bromo-2-methoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1018546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide?
The IUPAC name of 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide (CID 69072127) is 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide.
What is the SMILES notation for 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide?
The canonical SMILES for 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide is COc1cccc(NC(=O)c2oc3ccc(Br)cc3c2C(N)=O)c1.
What is the InChIKey of 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide?
The InChIKey is BSANRBZTBDYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c1-23-11-4-2-3-10(8-11)20-17(22)15-14(16(19)21)12-7-9(18)5-6-13(12)24-15/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide?
5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide has a molecular weight of 389.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(3-methoxyphenyl)-1-benzofuran-2,3-dicarboxamide is sourced from PubChem (CID 69072127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).