Chemical ID: 4158116

Cc1ccc(c(c1)OCCCC(=O)Nc2cccc(c2C)Cl)C
Chemical ID:
4158116
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-(2,5-dimethylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(c(c1)OCCCC(=O)Nc2cccc(c2C)Cl)C
InChi [?]:
InChI=1/C19H22ClNO2/c1-13-9-10-14(2)18(12-13)23-11-5-8-19(22)21-17-7-4-6-16(20)15(17)3/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,21,17,10,18,16,11,3,4,9,7,2,5,20,19,15,6,12,22,14,13,8/rA:23nCCCCCCCOCCCCONCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.66
Area:564.95
Solvation:-3.46373
Coulombic:-28.6632
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.836
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.7
LogP (Chemaxon):4.58

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Descriptor Annotations

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