2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide

C15H18BrNO4 — CID 91958115

IUPAC2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide
SMILESCCOCCCNC(=O)c1cc(OC)c2cc(Br)oc2c1
InChIInChI=1S/C15H18BrNO4/c1-3-20-6-4-5-17-15(18)10-7-12(19-2)11-9-14(16)21-13(11)8-10/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyXNSCEOOZNUKJHU-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.36
Rot. Bonds7

About 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide

2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide (PubChem CID 91958115) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide
PubChem CID91958115
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide
SMILESCCOCCCNC(=O)c1cc(OC)c2cc(Br)oc2c1
InChIInChI=1S/C15H18BrNO4/c1-3-20-6-4-5-17-15(18)10-7-12(19-2)11-9-14(16)21-13(11)8-10/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyXNSCEOOZNUKJHU-UHFFFAOYSA-N
XLogP3.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.36
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-bromo-N-(3-indazol-1-ylpropyl)-4-methoxy-1-benzofuran-6-carboxamide
CID 91958083
2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958080
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2-bromo-N-(2-methylpropyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958277
2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958157

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide (CID 91958115) is 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide is CCOCCCNC(=O)c1cc(OC)c2cc(Br)oc2c1.
What is the InChIKey of 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide?
The InChIKey is XNSCEOOZNUKJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-3-20-6-4-5-17-15(18)10-7-12(19-2)11-9-14(16)21-13(11)8-10/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide?
2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxypropyl)-4-methoxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).