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Chemical ID: 6849084

Chemical ID:

6849084

Name [?]:

N-(3,5-dichlorophenyl)-4-(2-methylphenoxy)-butanamide

SMILES [?]:

Cc1ccccc1OCCCC(=O)Nc2cc(cc(c2)Cl)Cl

InChi [?]:

InChI=1/C17H17Cl2NO2/c1-12-5-2-3-6-16(12)22-8-4-7-17(21)20-15-10-13(18)9-14(19)11-15/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,4,5,10,3,6,11,9,18,16,20,2,17,19,15,7,12,22,21,14,13,8/E:(10,11)(13,14)(18,19)/rA:22nCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂NO₂
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5666
Area:	564.391
Solvation:	-3.54315
Coulombic:	-28.5682

Bond Count [?]

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

Chemical Properties

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

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