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Chemical ID: 4682902
Chemical ID:
4682902
Name [?]:
N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)C2CCCCC2)C(F)(F)F
InChi [?]:
InChI=1/C15H18F3NO/c16-15(17,18)13-8-6-11(7-9-13)10-19-14(20)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,5,2,4,7,6,11,3,9,17,18,19,20,8,10/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:20nCCCCCCCNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18F3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1964 |
Area: | 462.259 |
Solvation: | -2.36007 |
Coulombic: | -41.5116 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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