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Chemical ID: 5532907
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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