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Chemical ID: 5720258
Chemical ID:
5720258
Name [?]:
2-chloro-N-(3,5-dimethylphenyl)-4,5-difluoro-benzamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)c2cc(c(cc2Cl)F)F)C
InChi [?]:
InChI=1/C15H12ClF2NO/c1-8-3-9(2)5-10(4-8)19-15(20)11-6-13(17)14(18)7-12(11)16/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,5,12,15,2,4,6,11,16,13,14,9,17,19,18,8,10/E:(1,2)(4,5)(8,9)/rA:20nCCCCCCCNCOCCCCCCClFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClF2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38733 |
Area: | 457.503 |
Solvation: | -4.05024 |
Coulombic: | -27.4111 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.711 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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