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Chemical ID: 6373403
Chemical ID:
6373403
Name [?]:
N,N'-bis(2-bromophenyl)terephthalamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)C(=O)Nc3ccccc3Br)Br
InChi [?]:
InChI=1/C20H14Br2N2O2/c21-15-5-1-3-7-17(15)23-19(25)13-9-11-14(12-10-13)20(26)24-18-8-4-2-6-16(18)22/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:2,22,1,21,3,23,6,20,11,15,12,14,10,13,4,24,5,19,8,16,26,25,7,18,9,17/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCNCOCCCCCCCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Br2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1472 |
Area: | 585.764 |
Solvation: | -2.49688 |
Coulombic: | -45.9394 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 474.145 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.56 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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