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Chemical ID: 6372416

Cc1cc(ccc1OCC(=O)NCCCNC(=O)COc2ccc(cc2C)Cl)Cl

Chemical ID:

6372416

Name [?]:

2-(4-chloro-2-methyl-phenoxy)-N-[3-[2-(4-chloro-2-methyl-phenoxy)acetyl]aminopropyl]acetamide

SMILES [?]:

Cc1cc(ccc1OCC(=O)NCCCNC(=O)COc2ccc(cc2C)Cl)Cl

InChi [?]:

InChI=1/C21H24Cl2N2O4/c1-14-10-16(22)4-6-18(14)28-12-20(26)24-8-3-9-25-21(27)13-29-19-7-5-17(23)11-15(19)2/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,27,14,5,23,6,22,13,15,3,25,9,19,2,26,4,24,7,21,10,17,29,28,12,16,11,18,8,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCOCCONCCCNCOCOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄Cl₂N₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.674
Area:	719.282
Solvation:	-7.30809
Coulombic:	-56.8948

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	439.332
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.06
LogP (Chemaxon):	3.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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