Chemical ID: 4143334

CC(C)(C)c1ccccc1OCC(=O)Nc2ccccc2Cl
Chemical ID:
4143334
Name [?]:
N-(2-chlorophenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-18(2,3)13-8-4-7-11-16(13)22-12-17(21)20-15-10-6-5-9-14(15)19/h4-11H,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,19,18,8,6,20,17,9,12,5,21,16,10,13,2,22,15,14,11/E:(1,2,3)/rA:22nCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.58103
Area:517.464
Solvation:-3.35558
Coulombic:-31.1519
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):4.37

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