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Chemical ID: 7303520
Chemical ID:
7303520
Name [?]:
2-(2,5-dichlorophenoxy)-N-(ethylcarbamoyl)acetamide
SMILES [?]:
CCNC(=O)NC(=O)COc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C11H12Cl2N2O3/c1-2-14-11(17)15-10(16)6-18-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,12,9,13,16,11,7,4,18,17,3,6,8,5,10/rA:18nCCNCONCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12Cl2N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.1639 |
Area: | 487.626 |
Solvation: | -6.02677 |
Coulombic: | -48.3485 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.13 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.87 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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