Chemical ID: 4096937

c1ccc(cc1)CN(Cc2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4096937
Name [?]:
1,1-dibenzyl-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C22H19F3N2O/c23-22(24,25)19-12-7-13-20(14-19)26-21(28)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,21,3,5,11,15,22,20,24,7,9,4,10,23,19,16,25,26,27,28,18,8,17/E:(1,2)(3,4,5,6)(8,9,10,11)(15,16)(17,18)(23,24,25)/rA:28nCCCCCCCNCCCCCCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19F3N2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3382
Area:575.098
Solvation:-3.0393
Coulombic:-52.6214
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.4
LogP (Chemaxon):6.03

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