2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide

C18H23BrN2O4 — CID 91958157

IUPAC2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
SMILESCOCCOc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12
InChIInChI=1S/C18H23BrN2O4/c1-21-5-3-13(4-6-21)20-18(22)12-9-15(24-8-7-23-2)14-11-17(19)25-16(14)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,22)
InChIKeyDSVSIGQPQFHLNH-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.04
Rot. Bonds6

About 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide

2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide (PubChem CID 91958157) has the molecular formula C18H23BrN2O4 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
PubChem CID91958157
Molecular FormulaC18H23BrN2O4
Molecular Weight411.30 g/mol
Exact Mass410.08
IUPAC Name2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
SMILESCOCCOc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12
InChIInChI=1S/C18H23BrN2O4/c1-21-5-3-13(4-6-21)20-18(22)12-9-15(24-8-7-23-2)14-11-17(19)25-16(14)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,22)
InChIKeyDSVSIGQPQFHLNH-UHFFFAOYSA-N
XLogP3.04
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methoxy-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958080
[2-bromo-4-(2-methoxyethoxy)-1-benzofuran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 91958184
2-bromo-N-cyclopropyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958249
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
(2-bromo-4-methoxy-1-benzofuran-6-yl)-pyrrolidin-1-ylmethanone
CID 91958137
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide (CID 91958157) is 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide is COCCOc1cc(C(=O)NC2CCN(C)CC2)cc2oc(Br)cc12.
What is the InChIKey of 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
The InChIKey is DSVSIGQPQFHLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4/c1-21-5-3-13(4-6-21)20-18(22)12-9-15(24-8-7-23-2)14-11-17(19)25-16(14)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide?
2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).