Chemical ID: 4153976

Cc1cccc(c1)OCCCC(=O)Nc2cccc(c2C)Cl
Chemical ID:
4153976
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-13-6-3-7-15(12-13)22-11-5-10-18(21)20-17-9-4-8-16(19)14(17)2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,4,17,10,3,5,18,16,11,9,7,2,20,6,19,15,12,22,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1092
Area:545.695
Solvation:-3.53317
Coulombic:-28.7437
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):4.11

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Descriptor Annotations

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