Chemical ID: 4143335

CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2)Cl
Chemical ID:
4143335
Name [?]:
N-(4-chlorophenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)20-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,6,9,18,20,17,21,12,19,16,5,10,13,2,22,15,14,11/E:(1,2,3)(8,9)(10,11)/rA:22nCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.42859
Area:523.404
Solvation:-3.65651
Coulombic:-30.3564
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):5.02

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Descriptor Annotations

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