7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide

C17H16BrNO4 — CID 86989821

IUPAC7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrNO4/c18-14-6-1-4-12-10-15(23-16(12)14)17(20)19-7-3-8-21-11-13-5-2-9-22-13/h1-2,4-6,9-10H,3,7-8,11H2,(H,19,20)
InChIKeyXNJPTEXNWLZRBC-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.12
Rot. Bonds7

About 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide

7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide (PubChem CID 86989821) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
PubChem CID86989821
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H16BrNO4/c18-14-6-1-4-12-10-15(23-16(12)14)17(20)19-7-3-8-21-11-13-5-2-9-22-13/h1-2,4-6,9-10H,3,7-8,11H2,(H,19,20)
InChIKeyXNJPTEXNWLZRBC-UHFFFAOYSA-N
XLogP4.12
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
5-bromo-N-[3-[3-(furan-2-ylmethoxy)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55794211
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 62800339

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide (CID 86989821) is 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide is O=C(NCCCOCc1ccco1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is XNJPTEXNWLZRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c18-14-6-1-4-12-10-15(23-16(12)14)17(20)19-7-3-8-21-11-13-5-2-9-22-13/h1-2,4-6,9-10H,3,7-8,11H2,(H,19,20).
What are the key properties of 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86989821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).