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Chemical ID: 6876167
Chemical ID:
6876167
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C24H21F3N2O3/c1-15-6-7-16(2)21(12-15)29-22(30)14-32-20-10-8-17(9-11-20)23(31)28-19-5-3-4-18(13-19)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,32,24,25,23,3,4,15,17,14,18,7,27,11,2,5,16,26,22,13,6,9,19,28,29,30,31,21,8,10,20,12/E:(8,9)(10,11)(25,26,27)/rA:32nCCCCCCCNCOCOCCCCCCCONCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21F3N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7423 |
Area: | 663.806 |
Solvation: | -5.85285 |
Coulombic: | -68.5665 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 442.43 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.1 |
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.
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