Chemical ID: 6585301

c1ccc2c(c1)C(=O)C(=O)N2CC(=O)Nc3cccc(c3)Br
Chemical ID:
6585301
Name [?]:
N-(3-bromophenyl)-2-(2,3-dioxoindolin-1-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC(=O)Nc3cccc(c3)Br
InChi [?]:
InChI=1/C16H11BrN2O3/c17-10-4-3-5-11(8-10)18-14(20)9-19-13-7-2-1-6-12(13)15(21)16(19)22/h1-8H,9H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,6,3,21,12,20,16,5,4,13,7,9,22,15,11,14,8,10/rA:22nCCCCCCCOCONCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.56641
Area:498.114
Solvation:-3.88644
Coulombic:-47.783
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:359.174
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.76

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