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Chemical ID: 6156812
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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