Chemical ID: 4085833

Cc1ccc(c(c1)C)NC(=O)CCCOc2ccc(cc2Cl)Cl
Chemical ID:
4085833
Name [?]:
4-(2,4-dichlorophenoxy)-N-(2,4-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CCCOc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-12-5-7-16(13(2)10-12)21-18(22)4-3-9-23-17-8-6-14(19)11-15(17)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,13,12,3,18,4,17,14,7,20,2,6,19,21,5,16,10,23,22,9,11,15/rA:23nCCCCCCCCNCOCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19Cl2NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7176
Area:584.095
Solvation:-3.88473
Coulombic:-28.3468
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.1
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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