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Chemical ID: 4156091

Chemical ID:

4156091

Name [?]:

2-(4-chloro-2-methyl-phenoxy)-N-(2,6-diethylphenyl)-acetamide

SMILES [?]:

CCc1cccc(c1NC(=O)COc2ccc(cc2C)Cl)CC

InChi [?]:

InChI=1/C19H22ClNO2/c1-4-14-7-6-8-15(5-2)19(14)21-18(22)12-23-17-10-9-16(20)11-13(17)3/h6-11H,4-5,12H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,23,20,2,22,5,4,6,16,15,18,12,19,3,7,17,14,10,8,21,9,11,13/E:(1,2)(4,5)(7,8)(14,15)/rA:23nCCCCCCCCNCOCOCCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s7;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂ClNO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.9041
Area:	556.567
Solvation:	-4.01007
Coulombic:	-29.557

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.836
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.9
LogP (Chemaxon):	4.29

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value