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Chemical ID: 4755187
Chemical ID:
4755187
Name [?]:
N-cyclohexyl-N-methyl-4-(trifluoromethoxy)benzamide
SMILES [?]:
CN(C1CCCCC1)C(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C15H18F3NO2/c1-19(12-5-3-2-4-6-12)14(20)11-7-9-13(10-8-11)21-15(16,17)18/h7-10,12H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,12,16,13,15,11,3,14,9,18,19,20,21,2,10,17/E:(3,4)(5,6)(7,8)(9,10)(16,17,18)/rA:21nCNCCCCCCCOCCCCCCOCFFF/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18F3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46461 |
Area: | 457.427 |
Solvation: | -1.97106 |
Coulombic: | -50.8898 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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