Chemical ID: 4160407

Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2)Cl
Chemical ID:
4160407
Name [?]:
N-(3-chlorophenyl)-4-(2,4-dimethylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-13-8-9-17(14(2)11-13)22-10-4-7-18(21)20-16-6-3-5-15(19)12-16/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,18,11,19,17,12,3,4,10,7,21,2,6,20,16,5,13,22,15,14,9/rA:22nCCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2495
Area:553.87
Solvation:-3.59726
Coulombic:-28.4984
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):4.76

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Descriptor Annotations

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