Chemical ID: 7301650

CC(C)(C)N(Cc1ccccc1)C(=O)Nc2ccc(cc2F)F
Chemical ID:
7301650
Name [?]:
1-benzyl-3-(2,4-difluorophenyl)-1-tert-butyl-urea
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C18H20F2N2O/c1-18(2,3)22(12-13-7-5-4-6-8-13)17(23)21-16-10-9-14(19)11-15(16)20/h4-11H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,11,8,12,18,17,20,6,7,19,21,16,13,2,23,22,15,5,14/E:(1,2,3)(5,6)(7,8)/rA:23nCCCCNCCCCCCCCONCCCCCCFF/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20F2N2O
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.1767
Area:481.391
Solvation:-2.85808
Coulombic:-39.7254
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.361
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):3.83

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Descriptor Annotations

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