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

C19H17BrN2O3 — CID 46465492

IUPAC7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C19H17BrN2O3/c1-2-9-21-18(23)13-6-3-7-14(10-13)22-19(24)16-11-12-5-4-8-15(20)17(12)25-16/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQKMZSUOQQLWJZ-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.59
Rot. Bonds5

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

7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 46465492) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID46465492
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C19H17BrN2O3/c1-2-9-21-18(23)13-6-3-7-14(10-13)22-19(24)16-11-12-5-4-8-15(20)17(12)25-16/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQKMZSUOQQLWJZ-UHFFFAOYSA-N
XLogP4.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63048189

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 46465492) is 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1.
What is the InChIKey of 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is JQKMZSUOQQLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-2-9-21-18(23)13-6-3-7-14(10-13)22-19(24)16-11-12-5-4-8-15(20)17(12)25-16/h3-8,10-11H,2,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46465492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).