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Chemical ID: 7360365
Chemical ID:
7360365
Name [?]:
N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILES [?]:
COc1ccc(cc1)C(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CCCCC3
InChi [?]:
InChI=1/C23H24F6N2O2/c1-33-19-7-5-15(6-8-19)20(31-9-3-2-4-10-31)14-30-21(32)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h5-8,11-13,20H,2-4,9-10,14H2,1H3,(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,5,7,4,8,29,33,15,19,17,10,6,14,16,18,3,9,12,24,20,25,26,27,21,22,23,11,28,13,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)(22,23)(24,25,26,27,28,29)/rA:33cCOCCCCCCCCNCOCCCCCCCFFFCFFFNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s16;s24;s24;s24;s9;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24F6N2O2 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5484 |
Area: | 647.724 |
Solvation: | -5.64468 |
Coulombic: | -71.316 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 474.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.01 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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