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Chemical ID: 6882982

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F

Chemical ID:

6882982

Name [?]:

N-(4-butylphenyl)-4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F

InChi [?]:

InChI=1/C26H24ClF3N2O3/c1-2-3-4-17-5-10-20(11-6-17)31-25(34)18-7-12-21(13-8-18)35-16-24(33)32-23-15-19(26(28,29)30)9-14-22(23)27/h5-15H,2-4,16H2,1H3,(H,31,34)(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,6,10,15,19,28,7,9,16,18,29,26,21,5,14,27,8,17,30,25,22,12,32,31,33,34,35,11,24,23,13,20/E:(5,6)(7,8)(10,11)(12,13)(28,29,30)/rA:35nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s27;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄ClF₃N₂O₃
All Atoms:	59
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1282
Area:	754.131
Solvation:	-5.72507
Coulombic:	-69.9241

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	504.928
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	7.23
LogP (Chemaxon):	6.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value