Chemical ID: 6352140

Cc1ccc(cc1)CNC(=O)COc2ccc(cc2C)Cl
Chemical ID:
6352140
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)COc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-3-5-14(6-4-12)10-19-17(20)11-21-16-8-7-15(18)9-13(16)2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,16,15,18,8,12,2,19,5,17,14,10,21,9,11,13/E:(3,4)(5,6)/rA:21nCCCCCCCCNCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.52797
Area:534.508
Solvation:-3.83472
Coulombic:-30.4014
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.783
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.1
LogP (Chemaxon):3.95

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