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Chemical ID: 6851837
Chemical ID:
6851837
Name [?]:
N-(2,5-dichlorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]carbamoyl]ethoxy]benzamide
SMILES [?]:
CC(C(=O)Nc1ccccc1C(F)(F)F)Oc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C23H17Cl2F3N2O3/c1-13(21(31)29-19-5-3-2-4-17(19)23(26,27)28)33-16-9-6-14(7-10-16)22(32)30-20-12-15(24)8-11-18(20)25/h2-13H,1H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,19,21,29,18,22,30,27,2,20,28,17,11,31,6,26,3,23,12,33,32,13,14,15,5,25,4,24,16/E:(6,7)(9,10)(26,27,28)/rA:33cCCCONCCCCCCCFFFOCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s12;s12;s2;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17Cl2F3N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4447 |
Area: | 696.138 |
Solvation: | -4.95879 |
Coulombic: | -70.918 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 497.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.34 |
LogP (Chemaxon): | 5.74 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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