Chemical ID: 4155110

Cc1cccc(c1)OCCCC(=O)Nc2ccc(cc2)Cl
Chemical ID:
4155110
Name [?]:
N-(4-chlorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-13-4-2-5-16(12-13)21-11-3-6-17(20)19-15-9-7-14(18)8-10-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,10,3,5,11,17,19,16,20,9,7,2,18,15,6,12,21,14,13,8/E:(7,8)(9,10)/rA:21nCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.63177
Area:531.394
Solvation:-3.65308
Coulombic:-28.5769
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:4.25
LogP (Chemaxon):4.29

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