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Chemical ID: 4111969

Chemical ID:

4111969

Name [?]:

N-(2,3-dichlorophenyl)-2-(6,7-dimethylbenzofuran-3-yl)-acetamide

SMILES [?]:

Cc1ccc2c(coc2c1C)CC(=O)Nc3cccc(c3Cl)Cl

InChi [?]:

InChI=1/C18H15Cl2NO2/c1-10-6-7-13-12(9-23-18(13)11(10)2)8-16(22)21-15-5-3-4-14(19)17(15)20/h3-7,9H,8H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,11,18,19,17,3,4,12,7,2,10,6,5,20,16,13,21,9,23,22,15,14,8/rA:23nCCCCCCCOCCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s10;s6;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅Cl₂NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2976
Area:	539.433
Solvation:	-3.18819
Coulombic:	-28.514

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	348.223
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.67
LogP (Chemaxon):	5.12

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