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Chemical ID: 5509948
Chemical ID:
5509948
Name [?]:
2-(4-cyanophenyl)amino-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CNc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H15N3O/c1-12-4-2-3-5-15(12)19-16(20)11-18-14-8-6-13(10-17)7-9-14/h2-9,18H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,19,11,2,16,13,7,9,20,12,8,10/E:(6,7)(8,9)/rA:20nCCCCCCCNCOCNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26224 |
Area: | 487.612 |
Solvation: | -2.92806 |
Coulombic: | -36.585 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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