Chemical ID: 3991305

COc1ccc(cc1NC(=O)CC(=O)Nc2cc(ccc2OC)Cl)Cl
Chemical ID:
3991305
Name [?]:
N,N'-bis(5-chloro-2-methoxy-phenyl)propanediamide
SMILES [?]:
COc1ccc(cc1NC(=O)CC(=O)Nc2cc(ccc2OC)Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O4/c1-24-14-5-3-10(18)7-12(14)20-16(22)9-17(23)21-13-8-11(19)4-6-15(13)25-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,5,19,4,20,7,17,12,6,18,8,16,3,21,10,13,25,24,9,15,11,14,2,22/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCOCCCCCCNCOCCONCCCCCCOCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Cl2N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.56472
Area:587.973
Solvation:-6.1346
Coulombic:-53.4056
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.225
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.35
LogP (Chemaxon):3.3

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Descriptor Annotations

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