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Chemical ID: 6436602
Chemical ID:
6436602
Name [?]:
N-(4-acetamidophenyl)-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)Nc3ccc(cc3)NC(=O)C)C
InChi [?]:
InChI=1/C19H18N2O3/c1-11-4-9-17-16(10-11)12(2)18(24-17)19(23)21-15-7-5-14(6-8-15)20-13(3)22/h4-10H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,3,16,18,15,19,4,7,2,8,21,17,14,6,5,9,11,20,13,22,12,10/E:(5,6)(7,8)/rA:24nCCCCCCCCCOCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1987 |
Area: | 535.948 |
Solvation: | -3.20001 |
Coulombic: | -50.1306 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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