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Chemical ID: 6875556
Chemical ID:
6875556
Name [?]:
4-(p-tolylcarbamoylmethoxy)-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C23H19F3N2O3/c1-15-5-9-18(10-6-15)27-21(29)14-31-20-11-7-16(8-12-20)22(30)28-19-4-2-3-17(13-19)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,3,7,15,17,4,6,14,18,27,11,2,16,26,5,22,13,9,19,28,29,30,31,8,21,10,20,12/E:(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:31nCCCCCCCNCOCOCCCCCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19F3N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.273 |
Area: | 646.847 |
Solvation: | -5.89816 |
Coulombic: | -68.5587 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 428.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.28 |
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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