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Chemical ID: 7360365

COc1ccc(cc1)C(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CCCCC3

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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value