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Chemical ID: 5672954
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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