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Chemical ID: 6875625
Chemical ID:
6875625
Name [?]:
4-[(3,5-dichlorophenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(cc(c3)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C22H15Cl2F3N2O3/c23-15-9-16(24)11-18(10-15)28-20(30)12-32-19-6-4-13(5-7-19)21(31)29-17-3-1-2-14(8-17)22(25,26)27/h1-11H,12H2,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,15,12,14,4,24,22,26,17,10,3,23,25,5,21,13,18,8,29,28,27,30,31,32,20,7,19,9,16/E:(4,5)(6,7)(10,11)(15,16)(23,24)(25,26,27)/rA:32nCCCCCCNCOCCCCCCOCCONCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s23;s3;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl2F3N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5333 |
Area: | 695.044 |
Solvation: | -5.84281 |
Coulombic: | -68.684 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 483.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.82 |
LogP (Chemaxon): | 5.85 |
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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