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-amino-3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)benzamide

HCID 21584517
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)CCl
InChIKey
VZIJKBBXMZKVDK-UHFFFAOYSA-N
Molecular formula
C13H15Cl3N2O2
Average molar mass
337.6 g/mol

Names & identifiers

Preferred name
4-amino-3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)benzamide
IUPAC
4-amino-3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)benzamide

Names & synonyms

SCHEMBL7527475VZIJKBBXMZKVDK-UHFFFAOYSA-N4-amino-3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl) benzamide4-amino-3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)benzamide

Database identifiers

PubChem CID
21584517

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
72.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
369

Related reactions

4 records
New reaction record
HRID 170377 reaction equation
HRID 170377As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 363483 reaction equation
HRID 363483As productuspto-grants-1999_02
HRID 1586563 reaction equation
HRID 1586563As productuspto-grants-1999_08
HRID 1740553 reaction equation
HRID 1740553As productuspto-grants-1999_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes