Chemical ID: 7293514

CCc1ccccc1NC(=O)CCCOc2ccc(c(c2)C)Cl
Chemical ID:
7293514
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(2-ethylphenyl)-butanamide
SMILES [?]:
CCc1ccccc1NC(=O)CCCOc2ccc(c(c2)C)Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-3-15-7-4-5-8-18(15)21-19(22)9-6-12-23-16-10-11-17(20)14(2)13-16/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,6,13,4,7,12,17,18,14,21,20,3,16,19,8,10,23,9,11,15/rA:23nCCCCCCCCNCOCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClNO2
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5296
Area:564.94
Solvation:-3.59389
Coulombic:-28.9165
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.836
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):4.51

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Descriptor Annotations

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