Chemical ID: 4155109

Cc1cccc(c1)OCCCC(=O)Nc2cccc(c2)Cl
Chemical ID:
4155109
Name [?]:
N-(3-chlorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-13-5-2-8-16(11-13)21-10-4-9-17(20)19-15-7-3-6-14(18)12-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,17,10,3,18,16,5,11,9,7,20,2,19,15,6,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;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:9.60224
Area:530.564
Solvation:-3.66185
Coulombic:-28.6153
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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