Chemical ID: 5452311

CC(C)(C)C1CCC(CC1)C(=O)NCc2ccccc2F
Chemical ID:
5452311
Name [?]:
N-[(2-fluorophenyl)methyl]-4-tert-butyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)C(=O)NCc2ccccc2F
InChi [?]:
InChI=1/C18H26FNO/c1-18(2,3)15-10-8-13(9-11-15)17(21)20-12-14-6-4-5-7-16(14)19/h4-7,13,15H,8-12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,16,19,7,9,6,10,14,8,15,5,20,11,2,21,13,12/E:(1,2,3)(8,9)(10,11)/rA:21nCCCCCCCCCCCONCCCCCCCF/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26FNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.99545
Area:499.684
Solvation:-2.49665
Coulombic:-27.4718
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.404
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.68
LogP (Chemaxon):4.5

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Descriptor Annotations

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