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Chemical ID: 5146153
Chemical ID:
5146153
Name [?]:
N-(3-acetamido-4-methyl-phenyl)-2-chloro-propanamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C)NC(=O)C(C)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-7-4-5-10(15-12(17)8(2)13)6-11(7)14-9(3)16/h4-6,8H,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,11,3,4,6,2,15,9,5,7,13,17,8,12,10,14/rA:17cCCCCCCCNCOCNCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s5;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.007 |
Area: | 446.932 |
Solvation: | -3.16629 |
Coulombic: | -39.4819 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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