Chemical ID: 5532907

c1ccc(c(c1)C(=O)Nc2cccc(c2)NC(=O)c3ccccc3Br)Br
Chemical ID:
5532907
Name [?]:
2-bromo-N-[3-(2-bromobenzoyl)aminophenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)NC(=O)c3ccccc3Br)Br
InChi [?]:
InChI=1/C20H14Br2N2O2/c21-17-10-3-1-8-15(17)19(25)23-13-6-5-7-14(12-13)24-20(26)16-9-2-4-11-18(16)22/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,21,2,22,12,11,13,6,20,3,23,15,10,14,5,19,4,24,7,17,26,25,9,16,8,18/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCONCCCCCCNCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;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:11.0442
Area:574.966
Solvation:-3.32996
Coulombic:-44.1862
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):5.74

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Descriptor Annotations

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