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Chemical ID: 7505867

Chemical ID:

7505867

Name [?]:

N-(2,3-dichlorophenyl)-2-(4-sec-butylphenoxy)-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2Cl)Cl

InChi [?]:

InChI=1/C18H19Cl2NO2/c1-3-12(2)13-7-9-14(10-8-13)23-11-17(22)21-16-6-4-5-15(19)18(16)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,4,2,18,19,17,6,10,7,9,12,3,5,8,20,16,13,21,23,22,15,14,11/E:(7,8)(9,10)/rA:23cCCCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉Cl₂NO₂
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6702
Area:	570.344
Solvation:	-3.5884
Coulombic:	-31.0987

Bond Count [?]

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

Chemical Properties

Molecular Weight:	352.254
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.89
LogP (Chemaxon):	4.85

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