Chemical ID: 5528241

Cc1ccc(cc1NC(=O)C2CCC(CC2)C(C)(C)C)F
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

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Descriptor Annotations

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