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Chemical ID: 6391721
Chemical ID:
6391721
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[(4-chlorophenyl)methyl]propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)NCc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-11-9-15(19)7-8-16(11)22-12(2)17(21)20-10-13-3-5-14(18)6-4-13/h3-9,12H,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,16,20,17,19,5,6,3,14,2,9,15,18,4,7,11,21,22,13,12,8/E:(3,4)(5,6)/rA:22cCCCCCCCOCCCONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4567 |
Area: | 560.287 |
Solvation: | -3.55051 |
Coulombic: | -31.5314 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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