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Chemical ID: 5528241
Chemical ID:
5528241
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-4-tert-butyl-cyclohexane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C2CCC(CC2)C(C)(C)C)F
InChi [?]:
InChI=1/C18H26FNO/c1-12-5-10-15(19)11-16(12)20-17(21)13-6-8-14(9-7-13)18(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,3,12,16,13,15,4,6,2,11,14,5,7,9,17,21,8,10/E:(2,3,4)(6,7)(8,9)/rA:21nCCCCCCCNCOCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s17;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26FNO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81099 |
Area: | 487.705 |
Solvation: | -2.38162 |
Coulombic: | -25.9717 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.77 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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