Chemical ID: 6373403

c1ccc(c(c1)NC(=O)c2ccc(cc2)C(=O)Nc3ccccc3Br)Br
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

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Descriptor Annotations

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