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Chemical ID: 6319015
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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