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Chemical ID: 6322939
Chemical ID:
6322939
Name [?]:
2,5-dichloro-N-(3,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)c2cc(ccc2Cl)Cl)C
InChi [?]:
InChI=1/C15H13Cl2NO/c1-9-5-10(2)7-12(6-9)18-15(19)13-8-11(16)3-4-14(13)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,14,15,3,7,5,12,2,4,13,6,11,16,9,18,17,8,10/E:(1,2)(6,7)(9,10)/rA:19nCCCCCCCNCOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87956 |
Area: | 478.84 |
Solvation: | -2.09144 |
Coulombic: | -22.6182 |
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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