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Chemical ID: 6839244
Chemical ID:
6839244
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)C
InChi [?]:
InChI=1/C24H20ClF3N2O3/c1-14-3-4-15(2)20(11-14)30-23(32)16-5-8-18(9-6-16)33-13-22(31)29-21-12-17(24(26,27)28)7-10-19(21)25/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,33,3,4,12,16,25,13,15,26,7,23,18,2,5,11,24,14,27,6,22,19,9,29,28,30,31,32,21,8,20,10,17/E:(5,6)(8,9)(26,27,28)/rA:33nCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;s29;s29;s29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClF3N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6132 |
Area: | 692.988 |
Solvation: | -5.71154 |
Coulombic: | -68.8685 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 476.875 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.86 |
LogP (Chemaxon): | 4.97 |
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
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