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Chemical ID: 6335260

CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

Chemical ID:

6335260

Name [?]:

N-(3-chlorophenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide

SMILES [?]:

CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H22ClNO2/c1-23(2,17-7-4-3-5-8-17)18-11-13-21(14-12-18)27-16-22(26)25-20-10-6-9-19(24)15-20/h3-15H,16H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,3,7,6,8,23,5,9,24,22,11,15,12,14,26,17,4,10,25,21,13,18,2,27,20,19,16/E:(1,2)(4,5)(7,8)(11,12)(13,14)/rA:27nCCCCCCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂ClNO₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0297
Area:	613.153
Solvation:	-4.29916
Coulombic:	-31.7732

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	379.879
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.61
LogP (Chemaxon):	6.52

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

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

Chemical Mix	Source	External ID	Descriptor	Value