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3-Amino-5-chloro-2-(2-ethoxybenzoyl)-benzofuran

HCID 58707366
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Basic information

Standard SMILES
CCOc1ccccc1C(=O)c1oc2ccc(Cl)cc2c1N
InChIKey
OFUBXZZKTPHGCY-UHFFFAOYSA-N
Molecular formula
C17H14ClNO3
Average molar mass
315.7 g/mol

Names & identifiers

Preferred name
3-Amino-5-chloro-2-(2-ethoxybenzoyl)-benzofuran
IUPAC
(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone

Names & synonyms

SCHEMBL5023109OFUBXZZKTPHGCY-UHFFFAOYSA-N3-Amino-5-chloro-2-(2-ethoxybenzoyl)-benzofuran

Database identifiers

PubChem CID
58707366

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
405

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Related reactions

2 records
New reaction record
HRID 315431 reaction equation
HRID 315431As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 450840 reaction equation
HRID 450840As productuspto-grants-2013_07

Compound notes

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