Chemical ID: 7505847

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2Cl
Chemical ID:
7505847
Name [?]:
N-(2-chlorophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-3-13(2)14-8-10-15(11-9-14)22-12-18(21)20-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,17,6,10,7,9,12,3,5,8,21,16,13,22,15,14,11/E:(8,9)(10,11)/rA:22cCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:42
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.97823
Area:543.408
Solvation:-3.60697
Coulombic:-31.0438
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):4.33

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