Chemical ID: 4515666

c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)F
Chemical ID:
4515666
Name [?]:
3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C14H10F4N2O/c15-10-3-7-12(8-4-10)20-13(21)19-11-5-1-9(2-6-11)14(16,17)18/h1-8H,(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,17,19,2,4,16,20,6,18,3,15,12,7,21,8,9,10,11,14,13/E:(1,2)(3,4)(5,6)(7,8)(16,17,18)/rA:21nCCCCCCCFFFNCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F4N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.75608
Area:445.644
Solvation:-3.38502
Coulombic:-57.0325
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.236
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):4.53

Name Annotations

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Descriptor Annotations

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