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Chemical ID: 4748039
Chemical ID:
4748039
Name [?]:
5-chloro-2-methylamino-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1cc(ccc1NC)Cl
InChi [?]:
InChI=1/C12H17ClN2O/c1-12(2,3)15-11(16)9-7-8(13)5-6-10(9)14-4/h5-7,14H,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,11,12,9,10,8,13,6,2,16,14,5,7/E:(1,2,3)/rA:16nCCCCNCOCCCCCCNCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95772 |
Area: | 424.001 |
Solvation: | -1.64231 |
Coulombic: | -34.3974 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.729 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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