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Chemical ID: 7432288
Chemical ID:
7432288
Name [?]:
1-cyclohexyl-3-(2-fluorophenyl)-1-isopropyl-urea
SMILES [?]:
CC(C)N(C1CCCCC1)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C16H23FN2O/c1-12(2)19(13-8-4-3-5-9-13)16(20)18-15-11-7-6-10-14(15)17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,17,16,6,10,18,15,2,5,19,14,11,20,13,4,12/E:(1,2)(4,5)(8,9)/rA:20nCCCNCCCCCCCONCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23FN2O |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74802 |
Area: | 460.236 |
Solvation: | -1.75788 |
Coulombic: | -36.5976 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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