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Chemical ID: 7309958
Chemical ID:
7309958
Name [?]:
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)N(CCC#N)C(=O)COc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O2/c18-13-7-8-15(19)16(11-13)23-12-17(22)21(10-4-9-20)14-5-2-1-3-6-14/h1-3,5-8,11H,4,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,3,5,19,20,10,8,17,14,18,4,21,16,12,23,22,11,7,13,15/E:(2,3)(5,6)/rA:23nCCCCCCNCCCNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;t10;s7;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O2 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80563 |
Area: | 567.796 |
Solvation: | -5.38927 |
Coulombic: | -26.1631 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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