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Chemical ID: 7478322
Chemical ID:
7478322
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2-chlorophenoxy)-propanamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C(C)Oc2ccccc2Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-7-8-12(9-14(10)18)19-16(20)11(2)21-15-6-4-3-5-13(15)17/h3-9,11H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,18,17,19,16,3,4,6,2,12,5,20,7,15,10,21,8,9,11,14/rA:21cCCCCCCCClNCOCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.18304 |
Area: | 519.16 |
Solvation: | -3.79595 |
Coulombic: | -30.436 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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