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Chemical ID: 3997588
Chemical ID:
3997588
Name [?]:
N-(2,5-dichlorophenyl)-2-ethylamino-acetamide
SMILES [?]:
CCNCC(=O)Nc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C10H12Cl2N2O/c1-2-13-6-10(15)14-9-5-7(11)3-4-8(9)12/h3-5,13H,2,6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,9,4,10,13,8,5,15,14,3,7,6/rA:15nCCNCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12Cl2N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54243 |
Area: | 433.16 |
Solvation: | -2.28658 |
Coulombic: | -30.0852 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.121 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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