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Chemical ID: 4733216
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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