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Chemical ID: 7269942
Chemical ID:
7269942
Name [?]:
N-(4-chloro-2-methyl-phenyl)-2-(3-cyanophenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2cccc(c2)C#N)Cl
InChi [?]:
InChI=1/C16H13ClN2O2/c1-11-7-13(17)5-6-15(11)19-16(20)10-21-14-4-2-3-12(8-14)9-18/h2-8H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,5,6,3,18,19,11,2,17,4,13,7,9,21,20,8,10,12/rA:21nCCCCCCCNCOCOCCCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;t19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O2 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58151 |
Area: | 517.823 |
Solvation: | -4.36405 |
Coulombic: | -31.7956 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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