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Chemical ID: 7301650
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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