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Chemical ID: 3967298
Chemical ID:
3967298
Name [?]:
2-(2-acetyl-5-methyl-phenyl)amino-2-(2,6-dichlorophenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(c2c(cccc2Cl)Cl)C(=O)N)C(=O)C
InChi [?]:
InChI=1/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,13,12,14,3,4,7,2,21,5,11,15,6,10,9,18,17,16,20,8,22,19/E:(4,5)(12,13)(18,19)/rA:23cCCCCCCCNCCCCCCCClClCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s11;s9;d18;s18;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.95274 |
Area: | 506.566 |
Solvation: | -3.71142 |
Coulombic: | -46.2605 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.227 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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