Chemical ID: 5755558

Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
5755558
Name [?]:
1-(p-tolyl)-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C15H13F3N2O/c1-10-2-6-12(7-3-10)19-14(21)20-13-8-4-11(5-9-13)15(16,17)18/h2-9H,1H3,(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,2,15,5,12,9,18,19,20,21,8,11,10/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:21nCCCCCCCNCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F3N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.94156
Area:460.239
Solvation:-2.56441
Coulombic:-53.9919
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.272
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):4.86

Name Annotations

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Descriptor Annotations

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