Chemical ID: 5672954

CC(C)NC(=O)NC(=O)COc1cc(ccc1Cl)Cl
Chemical ID:
5672954
Name [?]:
2-(2,5-dichlorophenoxy)-N-(isopropylcarbamoyl)acetamide
SMILES [?]:
CC(C)NC(=O)NC(=O)COc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C12H14Cl2N2O3/c1-7(2)15-12(18)16-11(17)6-19-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,13,10,2,14,17,12,8,5,19,18,4,7,9,6,11/E:(1,2)/rA:19nCCCNCONCOCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl2N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.62742
Area:504.443
Solvation:-5.98366
Coulombic:-48.5175
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.157
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):2.24

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Descriptor Annotations

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