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Chemical ID: 5551486
Chemical ID:
5551486
Name [?]:
N-(4-acetamidophenyl)-5-bromo-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)Nc3ccc(cc3)NC(=O)C)Br
InChi [?]:
InChI=1/C18H15BrN2O3/c1-10-15-9-12(19)3-8-16(15)24-17(10)18(23)21-14-6-4-13(5-7-14)20-11(2)22/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,6,16,18,15,19,7,4,2,21,5,17,14,3,8,10,11,24,20,13,22,12,9/E:(4,5)(6,7)/rA:24nCCCCCCCCOCCONCCCCCCNCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.341 |
Area: | 542.202 |
Solvation: | -3.21405 |
Coulombic: | -49.8806 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 387.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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