Chemical ID: 6387639

Cc1cc(ccc1OC(C)C(=O)NCc2ccccc2)Cl
Chemical ID:
6387639
Name [?]:
N-benzyl-2-(4-chloro-2-methyl-phenoxy)-propanamide
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)NCc2ccccc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-10-15(18)8-9-16(12)21-13(2)17(20)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,20,5,6,3,14,2,9,15,4,7,11,21,13,12,8/E:(4,5)(6,7)/rA:21cCCCCCCCOCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.59639
Area:524.737
Solvation:-3.52203
Coulombic:-31.4536
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:4.19
LogP (Chemaxon):4.02

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