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Chemical ID: 4471764
Chemical ID:
4471764
Name [?]:
N-(4-acetamidophenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)C)C
InChi [?]:
InChI=1/C17H18N2O2/c1-11-8-12(2)10-14(9-11)17(21)19-16-6-4-15(5-7-16)18-13(3)20/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,13,15,12,16,3,7,5,2,4,18,6,14,11,8,17,10,19,9/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:21nCCCCCCCCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35404 |
Area: | 499.044 |
Solvation: | -3.12205 |
Coulombic: | -40.9658 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.7 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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