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Chemical ID: 5780640

Chemical ID:

5780640

Name [?]:

N-(2,4-dichlorophenyl)-2-(2,4,6-trimethylphenoxy)-acetamide

SMILES [?]:

Cc1cc(c(c(c1)C)OCC(=O)Nc2ccc(cc2Cl)Cl)C

InChi [?]:

InChI=1/C17H17Cl2NO2/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)20-15-5-4-13(18)8-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,22,16,15,7,3,18,10,2,6,4,17,19,14,11,5,21,20,13,12,9/E:(2,3)(6,7)(11,12)/rA:22nCCCCCCCCOCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3629
Area:	546.318
Solvation:	-3.295
Coulombic:	-30.1565

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	338.228
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.81
LogP (Chemaxon):	4.66

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