ChemDB: Chemical Search
Download
Chemical ID: 6875607
Chemical ID:
6875607
Name [?]:
4-[(4-butylphenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C26H25F3N2O3/c1-2-3-5-18-8-12-21(13-9-18)30-24(32)17-34-23-14-10-19(11-15-23)25(33)31-22-7-4-6-20(16-22)26(27,28)29/h4,6-16H,2-3,5,17H2,1H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,4,28,26,6,10,18,20,7,9,17,21,30,14,5,19,29,8,25,16,12,22,31,32,33,34,11,24,13,23,15/E:(8,9)(10,11)(12,13)(14,15)(27,28,29)/rA:34nCCCCCCCCCCNCOCOCCCCCCCONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25F3N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2475 |
Area: | 725.758 |
Solvation: | -5.89642 |
Coulombic: | -69.5588 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 470.484 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.61 |
LogP (Chemaxon): | 6.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|