Chemical ID: 6370331

c1cc(cc(c1)Br)NC(=O)CCC(=O)Nc2cccc(c2)Br
Chemical ID:
6370331
Name [?]:
N,N'-bis(3-bromophenyl)butanediamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)CCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C16H14Br2N2O2/c17-11-3-1-5-13(9-11)19-15(21)7-8-16(22)20-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,18,6,19,2,17,11,12,4,21,5,20,3,16,9,13,7,22,8,15,10,14/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:22nCCCCCCBrNCOCCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Br2N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7701
Area:543.866
Solvation:-2.82651
Coulombic:-40.2313
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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