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Chemical ID: 7280557
Chemical ID:
7280557
Name [?]:
N-(2-cyanophenyl)-2-(3,5-dichlorophenyl)amino-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)CNc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O/c16-11-5-12(17)7-13(6-11)19-9-15(21)20-14-4-2-1-3-10(14)8-18/h1-7,19H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,15,19,7,12,5,16,18,14,4,10,21,20,8,13,9,11/E:(6,7)(11,12)(16,17)/rA:21nCCCCCCCNNCOCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8545 |
Area: | 535.582 |
Solvation: | -2.535 |
Coulombic: | -37.372 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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