Chemical ID: 4500253

CCCCC1CCC(CC1)C(=O)Nc2ccccc2C(F)(F)F
Chemical ID:
4500253
Name [?]:
4-butyl-N-[2-(trifluoromethyl)phenyl]-cyclohexane-1-carboxamide
SMILES [?]:
CCCCC1CCC(CC1)C(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H24F3NO/c1-2-3-6-13-9-11-14(12-10-13)17(23)22-16-8-5-4-7-15(16)18(19,20)21/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,16,4,18,15,6,10,7,9,5,8,19,14,11,20,21,22,23,13,12/E:(9,10)(11,12)(19,20,21)/rA:23nCCCCCCCCCCCONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24F3NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0318
Area:521.307
Solvation:-2.00089
Coulombic:-41.8695
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.385
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.33
LogP (Chemaxon):5.65

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Descriptor Annotations

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