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Chemical ID: 3991305
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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