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Chemical ID: 4185613
Chemical ID:
4185613
Name [?]:
2-acetamido-3-(4-chlorophenyl)-N-tert-butyl-prop-2-enamide
SMILES [?]:
CC(=O)NC(=Cc1ccc(cc1)Cl)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C15H19ClN2O2/c1-10(19)17-13(14(20)18-15(2,3)4)9-11-5-7-12(16)8-6-11/h5-9H,1-4H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,8,12,9,11,6,2,7,10,5,14,17,13,4,16,3,15/E:(2,3,4)(5,6)(7,8)/rA:20nCCONCCCCCCCCClCONCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s5;d14;s14;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19ClN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35201 |
Area: | 488.519 |
Solvation: | -2.86096 |
Coulombic: | -42.9692 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.776 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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