Chemical ID: 5551486

Cc1c2cc(ccc2oc1C(=O)Nc3ccc(cc3)NC(=O)C)Br
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

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