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Chemical ID: 5850780
Chemical ID:
5850780
Name [?]:
N-(2,4-dichlorophenyl)-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO3/c1-20-11-5-9(6-12(8-11)21-2)15(19)18-14-4-3-10(16)7-13(14)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,16,15,4,6,18,8,5,17,3,7,19,14,11,21,20,13,12,2,9/E:(1,2)(5,6)(11,12)(20,21)/rA:21nCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7014 |
Area: | 512.235 |
Solvation: | -4.10448 |
Coulombic: | -36.2408 |
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): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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