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Chemical ID: 7483827

Chemical ID:

7483827

Name [?]:

N-(5-chloro-2-methyl-phenyl)-2-(3,5-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1NC(=O)COc2cc(cc(c2)C)C)Cl

InChi [?]:

InChI=1/C17H18ClNO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-16-9-14(18)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:19,20,1,3,4,16,18,14,6,11,17,15,2,5,13,7,9,21,8,10,12/E:(1,2)(7,8)(11,12)/rA:21nCCCCCCCNCOCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈ClNO₂
All Atoms:	39
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.11197
Area:	519.149
Solvation:	-3.86675
Coulombic:	-29.0879

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	303.783
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.4
LogP (Chemaxon):	4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value