Chemical ID: 7309958

c1ccc(cc1)N(CCC#N)C(=O)COc2cc(ccc2Cl)Cl
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

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Descriptor Annotations

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