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Chemical ID: 6157953
Chemical ID:
6157953
Name [?]:
N-(4-cyanophenyl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1C#N)NC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2N2O2/c16-11-3-6-14(13(17)7-11)21-9-15(20)19-12-4-1-10(8-18)2-5-12/h1-7H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,15,18,7,12,6,17,3,19,14,10,21,20,8,9,11,13/E:(1,2)(4,5)/rA:21nCCCCCCCNNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58689 |
Area: | 531.771 |
Solvation: | -4.7074 |
Coulombic: | -31.7612 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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