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Chemical ID: 7505870

Chemical ID:

7505870

Name [?]:

N-(2,5-dichlorophenyl)-2-(4-sec-butylphenoxy)-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)Cl

InChi [?]:

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

InChi Info:

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

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.7627
Area:	576.826
Solvation:	-3.65797
Coulombic:	-30.835

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