Chemical ID: 4099209

c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
4099209
Name [?]:
1-phenyl-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C14H11F3N2O/c15-14(16,17)10-6-8-12(9-7-10)19-13(20)18-11-4-2-1-3-5-11/h1-9H,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,15,12,16,14,4,11,8,17,18,19,20,7,10,9/E:(2,3)(4,5)(6,7)(8,9)(15,16,17)/rA:20nCCCCCCNCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.38914
Area:438.036
Solvation:-2.56176
Coulombic:-54.2398
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.245
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):4.39

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