Molecule

ID:23170

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₂
Molecular Mass
325.18986
Exact Mass
324.04323306
Charge
0
InChI
InChI=1S/C15H14Cl2N2O2/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-11-4-7-13(17)14(18)8-11/h2-9H,18H2,1H3,(H,19,20)
InChIKey
JXINKCXJTXJXQR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OC(C(=O)Nc1ccc(c(c1)N)Cl)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1ccc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
12.690915
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6754801
LogD (pH = 7.4)
3.6757815
Log P
3.6757874
Molar Refractivity
85.687
Polarizability
32.224216
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
Navigation
N-(3-Amino-4-chlorophenyl)-2-(4-chlorophenoxy)-propanamide|N-(3-amino-4-chlorophenyl)-2-(4-chlorophenoxy)propanamide|N-(3-amino-4-chlorophenyl)-2-(4-chlorophenoxy)propanamide | Molfinder