Chemical ID: 4158243

CCc1ccccc1OCC(=O)Nc2ccccc2Cl
Chemical ID:
4158243
Name [?]:
N-(2-chlorophenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-2-12-7-3-6-10-15(12)20-11-16(19)18-14-9-5-4-8-13(14)17/h3-10H,2,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,16,6,4,18,15,7,10,3,19,14,8,11,20,13,12,9/rA:20nCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.76848
Area:492.294
Solvation:-3.53888
Coulombic:-30.5798
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):3.61

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