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Chemical ID: 7526184
Chemical ID:
7526184
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2c(c3ccccc3o2)C)C
InChi [?]:
InChI=1/C19H19NO2/c1-4-14-9-7-8-12(2)17(14)20-19(21)18-13(3)15-10-5-6-11-16(15)22-18/h5-11H,4H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,2,16,17,5,6,4,15,18,7,13,3,14,19,8,12,10,9,11,20/rA:22nCCCCCCCCNCOCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.334 |
Area: | 486.161 |
Solvation: | -1.82008 |
Coulombic: | -32.9174 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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