Chemical ID: 6156812

CC(C)(C(=O)Nc1ccc(c(c1)Cl)C#N)Oc2ccc(cc2)Cl
Chemical ID:
6156812
Name [?]:
N-(3-chloro-4-cyano-phenyl)-2-(4-chlorophenoxy)-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)Nc1ccc(c(c1)Cl)C#N)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O2/c1-17(2,23-14-7-4-12(18)5-8-14)16(22)21-13-6-3-11(10-20)15(19)9-13/h3-9H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,9,19,21,8,18,22,12,14,10,20,7,17,11,4,2,23,13,15,6,5,16/E:(1,2)(4,5)(7,8)/rA:23nCCCCONCCCCCCClCNOCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s10;t14;s2;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.87332
Area:549.703
Solvation:-3.86926
Coulombic:-33.595
Bond Count [?]
All:24
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):4.47

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