Chemical ID: 6374549

c1ccc(c(c1)NC(=O)c2cccc(n2)C(=O)Nc3ccccc3Br)Br
Chemical ID:
6374549
Name [?]:
N,N'-bis(2-bromophenyl)pyridine-2,6-dicarboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cccc(n2)C(=O)Nc3ccccc3Br)Br
InChi [?]:
InChI=1/C19H13Br2N3O2/c20-12-6-1-3-8-14(12)23-18(25)16-10-5-11-17(22-16)19(26)24-15-9-4-2-7-13(15)21/h1-11H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:2,22,1,21,12,3,23,6,20,11,13,4,24,5,19,10,14,8,16,26,25,15,7,18,9,17/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCNCOCCCCCNCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13Br2N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7765
Area:554.795
Solvation:-2.09333
Coulombic:-53.1927
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:475.134
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.49
LogP (Chemaxon):3.93

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Descriptor Annotations

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