Chemical ID: 6875607

CCCCc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
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

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Descriptor Annotations

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