Chemical ID: 5689020

Cc1ccc(cc1)NC(=O)c2c(c3cc(ccc3o2)Br)C
Chemical ID:
5689020
Name [?]:
5-bromo-3-methyl-N-(p-tolyl)benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2c(c3cc(ccc3o2)Br)C
InChi [?]:
InChI=1/C17H14BrNO2/c1-10-3-6-13(7-4-10)19-17(20)16-11(2)14-9-12(18)5-8-15(14)21-16/h3-9H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,16,4,6,17,14,2,12,15,5,13,18,11,9,20,8,10,19/E:(3,4)(6,7)/rA:21nCCCCCCCNCOCCCCCCCCOBrC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4235
Area:489.22
Solvation:-1.80704
Coulombic:-32.234
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.203
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):5.17

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