HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4,6-Dichloro-2-[2-(4-methoxy-phenyl)-propionylamino]-benzoic acid methyl ester

HCID 68818403
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)C(C)c1ccc(OC)cc1
InChIKey
ZTGWOYHXKFMGDT-UHFFFAOYSA-N
Molecular formula
C18H17Cl2NO4
Average molar mass
382.2 g/mol

Names & identifiers

Preferred name
4,6-Dichloro-2-[2-(4-methoxy-phenyl)-propionylamino]-benzoic acid methyl ester
IUPAC
methyl 2,4-dichloro-6-[2-(4-methoxyphenyl)propanoylamino]benzoate

Names & synonyms

SCHEMBL3863234ZTGWOYHXKFMGDT-UHFFFAOYSA-N4,6-dichloro-2-[2-(4-methoxy-phenyl)-propionylamino]-benzoic acid methyl ester

Database identifiers

PubChem CID
68818403

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
468

Related reactions

5 records
New reaction record
HRID 210590 reaction equation
HRID 210590As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 735227 reaction equation
HRID 735227As productuspto-grants-2009_09
HRID 735242 reaction equation
HRID 735242As reactantuspto-grants-2009_09
HRID 735261 reaction equation
HRID 735261As reactantuspto-grants-2009_09
HRID 1137860 reaction equation
HRID 1137860As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes