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Chemical ID: 6584525
Chemical ID:
6584525
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)c1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C17H25F3N2O/c1-4-22(5-2)12-6-7-13(3)21-16(23)14-8-10-15(11-9-14)17(18,19)20/h8-11,13H,4-7,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,7,8,15,19,16,18,6,9,14,17,12,20,21,22,23,11,3,13/E:(1,2)(4,5)(8,9)(10,11)(18,19,20)/rA:23cCCNCCCCCCCNCOCCCCCCCFFF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25F3N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0756 |
Area: | 555.019 |
Solvation: | -2.79983 |
Coulombic: | -46.7932 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 330.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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