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Chemical ID: 4155138

Chemical ID:

4155138

Name [?]:

N-(3,4-dichlorophenyl)-4-(4-ethylphenoxy)-butanamide

SMILES [?]:

CCc1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)Cl)Cl

InChi [?]:

InChI=1/C18H19Cl2NO2/c1-2-13-5-8-15(9-6-13)23-11-3-4-18(22)21-14-7-10-16(19)17(20)12-14/h5-10,12H,2-4,11H2,1H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,11,12,4,8,17,5,7,18,10,21,3,16,6,19,20,13,23,22,15,14,9/E:(5,6)(8,9)/rA:23nCCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉Cl₂NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9781
Area:	585.742
Solvation:	-3.66551
Coulombic:	-28.9359

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.254
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.34
LogP (Chemaxon):	5.21

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