Chemical ID: 6319015

c1cc(ccc1NC(=O)CCC(=O)Nc2ccc(cc2)Br)Br
Chemical ID:
6319015
Name [?]:
N,N'-bis(4-bromophenyl)butanediamide
SMILES [?]:
c1cc(ccc1NC(=O)CCC(=O)Nc2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C16H14Br2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:2,4,17,19,1,5,16,20,10,11,3,18,6,15,8,12,22,21,7,14,9,13/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCNCOCCCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Br2N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7369
Area:543.299
Solvation:-2.84556
Coulombic:-40.1484
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.103
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):4.29

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