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Chemical ID: 4366319
Chemical ID:
4366319
Name [?]:
2,3-dichloro-N-(3,4-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-9-6-7-11(8-10(9)2)18-15(19)12-4-3-5-13(16)14(12)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,14,13,15,3,4,6,2,7,5,12,16,17,10,19,18,9,11/rA:19nCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5718 |
Area: | 469.129 |
Solvation: | -2.15642 |
Coulombic: | -22.8027 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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