Chemical ID: 4153200

Cc1ccccc1OCCCC(=O)Nc2cccc(c2)Cl
Chemical ID:
4153200
Name [?]:
N-(3-chlorophenyl)-4-(2-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-13-6-2-3-9-16(13)21-11-5-10-17(20)19-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,10,3,18,16,6,11,9,20,2,19,15,7,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.61123
Area:528.392
Solvation:-3.59857
Coulombic:-28.7363
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.783
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):4.29

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