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Chemical ID: 6360586
Chemical ID:
6360586
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-isobutyl-propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)NCC(C)C)Cl
InChi [?]:
InChI=1/C14H20ClNO2/c1-9(2)8-16-14(17)11(4)18-13-6-5-12(15)7-10(13)3/h5-7,9,11H,8H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,1,10,5,6,3,14,15,2,9,4,7,11,18,13,12,8/E:(1,2)/rA:18cCCCCCCCOCCCONCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.82617 |
Area: | 484.867 |
Solvation: | -3.2955 |
Coulombic: | -30.3046 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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