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Chemical ID: 6604284
Chemical ID:
6604284
Name [?]:
N-benzyl-2-chloro-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)CCl
InChi [?]:
InChI=1/C13H18ClNO/c1-13(2,3)15(12(16)9-14)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,11,8,12,15,6,7,13,2,16,5,14/E:(1,2,3)(5,6)(7,8)/rA:16nCCCCNCCCCCCCCOCCl/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97975 |
Area: | 408.659 |
Solvation: | -2.23674 |
Coulombic: | -17.788 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.741 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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