7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C22H16BrN3O3 — CID 55782670

IUPAC7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C22H16BrN3O3/c23-18-9-4-5-14-12-19(29-20(14)18)22(28)26-16-8-3-6-15(11-16)21(27)25-13-17-7-1-2-10-24-17/h1-12H,13H2,(H,25,27)(H,26,28)
InChIKeyHTDDXDFCQHMOAS-UHFFFAOYSA-N
MW450.29 g/mol
LogP4.77
Rot. Bonds5

About 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55782670) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55782670
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C22H16BrN3O3/c23-18-9-4-5-14-12-19(29-20(14)18)22(28)26-16-8-3-6-15(11-16)21(27)25-13-17-7-1-2-10-24-17/h1-12H,13H2,(H,25,27)(H,26,28)
InChIKeyHTDDXDFCQHMOAS-UHFFFAOYSA-N
XLogP4.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 46450886
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 55782670) is 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1.
What is the InChIKey of 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HTDDXDFCQHMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c23-18-9-4-5-14-12-19(29-20(14)18)22(28)26-16-8-3-6-15(11-16)21(27)25-13-17-7-1-2-10-24-17/h1-12H,13H2,(H,25,27)(H,26,28).
What are the key properties of 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 450.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).