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Chemical ID: 6170798
Chemical ID:
6170798
Name [?]:
3,5-dichloro-4-methoxy-N-(3-methoxyphenyl)-benzamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C15H13Cl2NO3/c1-20-11-5-3-4-10(8-11)18-15(19)9-6-12(16)14(21-2)13(17)7-9/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,5,6,4,13,17,8,12,7,3,14,16,15,10,21,18,9,11,2,19/E:(6,7)(12,13)(16,17)/rA:21nCOCCCCCCNCOCCCCCCClOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s15;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19787 |
Area: | 511.287 |
Solvation: | -4.5843 |
Coulombic: | -36.3819 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.174 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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