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Chemical ID: 7487701
Chemical ID:
7487701
Name [?]:
2-bromo-N-[5-(2-bromobenzoyl)amino-2-methyl-phenyl]-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccccc2Br)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C21H16Br2N2O2/c1-13-10-11-14(24-20(26)15-6-2-4-8-17(15)22)12-19(13)25-21(27)16-7-3-5-9-18(16)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,13,24,14,22,12,25,15,3,4,6,2,5,21,11,26,16,7,19,9,27,17,18,8,20,10/rA:27nCCCCCCCNCOCCCCCCBrNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s5;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Br2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7526 |
Area: | 592.58 |
Solvation: | -3.06187 |
Coulombic: | -44.4069 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 488.172 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.79 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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