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Home> Encyclopedia > Hot Product Listed C   > CBMICRO_018429
303091-84-1 structure

CBMICRO_018429

Iupac Name:4-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CAS No.:303091-84-1
Molecular Weight:368.254
Molecular Formula:C18H19Cl2NO3 (isomer)
Names and Identifiers
Synonyms

4-(2,4-dichlorophenoxy)-n-(4-methoxybenzyl)butanamide 4-(2,4-dichlorophenoxy)-n-[(4-methoxyphenyl)methyl]butanamide 4-(2,4-dichlorophenoxy)-n~1~-(4-methoxybenzyl)butanamide AC1M14U0 AC1Q4CQ4 AKOS003265329 BIM-0018455.P001 CCG-6771 JS-1872 MOLPORT-001-507-190 ST028937 STK070997 ZINC2571595

Inchi
InChI=1S/C18H19Cl2NO3/c1-23-15-7-4-13(5-8-15)12-21-18(22)3-2-10-24-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10,12H2,1H3,(H,21,22)
InChkey
JJIHSAOQYOHOSK-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)CNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
Computational chemical data
  • Molecular Weight:368.254g/mol
  • Molecular Formula:C18H19Cl2NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.7
  • Exact Mass:367.074
  • Monoisotopic Mass:367.074
  • Complexity:375
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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