Chemical ID: 6312518

c1ccc(c(c1)CN(C2CCCC2)C(=O)Nc3cccc(c3)C(F)(F)F)F
Chemical ID:
6312518
Name [?]:
1-cyclopentyl-1-[(2-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc(c(c1)CN(C2CCCC2)C(=O)Nc3cccc(c3)C(F)(F)F)F
InChi [?]:
InChI=1/C20H20F4N2O/c21-18-11-4-1-6-14(18)13-26(17-9-2-3-10-17)19(27)25-16-8-5-7-15(12-16)20(22,23)24/h1,4-8,11-12,17H,2-3,9-10,13H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,19,6,20,18,10,13,3,22,7,5,21,17,9,4,14,23,27,24,25,26,16,8,15/E:(2,3)(9,10)(22,23,24)/rA:27nCCCCCCCNCCCCCCONCCCCCCCFFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s9s12;s8;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20F4N2O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.60007
Area:535.869
Solvation:-3.79665
Coulombic:-54.1176
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.379
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):5.58

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