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Chemical ID: 4500253
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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