Chemical ID: 6360586

Cc1cc(ccc1OC(C)C(=O)NCC(C)C)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue