Chemical ID: 4290695

Cc1ccc(c(c1)Br)NC(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3Br)C
Chemical ID:
4290695
Name [?]:
N,N'-bis(2-bromo-4-methyl-phenyl)terephthalamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3Br)C
InChi [?]:
InChI=1/C22H18Br2N2O2/c1-13-3-9-19(17(23)11-13)25-21(27)15-5-7-16(8-6-15)22(28)26-20-10-4-14(2)12-18(20)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,3,23,13,17,14,16,4,22,7,25,2,24,12,15,6,26,5,21,10,18,8,27,9,20,11,19/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)(27,28)/gE:(1,2)/rA:28nCCCCCCCBrNCOCCCCCCCONCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Br2N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3617
Area:633.34
Solvation:-2.47182
Coulombic:-45.5338
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:502.199
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.43
LogP (Chemaxon):5.38

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Descriptor Annotations

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