Chemical ID: 5558168

Cc1c2cc(ccc2oc1C(=O)NCc3ccccc3)Br
Chemical ID:
5558168
Name [?]:
N-benzyl-5-bromo-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)NCc3ccccc3)Br
InChi [?]:
InChI=1/C17H14BrNO2/c1-11-14-9-13(18)7-8-15(14)21-16(11)17(20)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,6,7,4,14,2,15,5,3,8,10,11,21,13,12,9/E:(3,4)(5,6)/rA:21nCCCCCCCCOCCONCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5993
Area:498.314
Solvation:-1.85856
Coulombic:-33.6489
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.203
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):4.32

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