Chemical ID: 4733216

CC(C)(C)c1ccc(c(c1)Cl)NC(=O)CCl
Chemical ID:
4733216
Name [?]:
2-chloro-N-(2-chloro-4-tert-butyl-phenyl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Cl)NC(=O)CCl
InChi [?]:
InChI=1/C12H15Cl2NO/c1-12(2,3)8-4-5-10(9(14)6-8)15-11(16)7-13/h4-6H,7H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,7,10,15,5,9,8,13,2,16,11,12,14/E:(1,2,3)/rA:16nCCCCCCCCCCClNCOCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Cl2NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.93572
Area:441.501
Solvation:-2.10181
Coulombic:-22.0631
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.159
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):3.46

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