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Chemical ID: 7293405
Chemical ID:
7293405
Name [?]:
N-(2-chloro-4-methyl-phenyl)-2-(2-cyanophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C16H13ClN2O2/c1-11-6-7-14(13(17)8-11)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,3,4,7,20,12,2,19,6,5,14,10,8,21,9,11,13/rA:21nCCCCCCCClNCOCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O2 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49762 |
Area: | 512.954 |
Solvation: | -4.32624 |
Coulombic: | -32.7324 |
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: | 3.46 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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