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5-chloro-2-methoxy-N-[[2-(4-morpholinylmethyl)phenyl]methyl]benzamide

Iupac Name:5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CAS No.: 1043101-68-3
Molecular Weight:374.9
Modify Date.: 2022-07-23 11:06
1. Names and Identifiers
1.1 Name
5-chloro-2-methoxy-N-[[2-(4-morpholinylmethyl)phenyl]methyl]benzamide
1.2 CAS No.
1043101-68-3
1.3 CID
29881040
1.4 Molecular Formula
C20H23ClN2O3 (isomer)
1.5 Inchi
InChI=1S/C20H23ClN2O3/c1-25-19-7-6-17(21)12-18(19)20(24)22-13-15-4-2-3-5-16(15)14-23-8-10-26-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
1.6 InChIkey
NOIMUOJQQLQCIZ-UHFFFAOYSA-N
1.7 Canonical Smiles
COC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2CN3CCOCC3
1.8 Isomers Smiles
COC1=C(C=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2CN3CCOCC3
2. Properties
2.1 Precise Quality
374.1397203
3. Computational chemical data
  • Molecular Weight: 374.9g/mol
  • Molecular Formula: C20H23ClN2O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.8
  • Exact Mass: 374.1397203
  • Monoisotopic Mass: 374.1397203
  • Complexity: 445
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 50.8
  • Heavy Atom Count: 26
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgIQAAAADAbhmCYyBoPABACIAiFSEACCCAAkJQAIiIEODsgOJjaFtxuHMWhm5hGYqYeYyKCOgCAAIAAYAAAAQABAADAAAAAAAAAAAA==
5. Realated Product Infomation