ChemDB: Chemical Search
Download
Chemical ID: 6990715
Chemical ID:
6990715
Name [?]:
3-bromo-N-(2-bromophenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1Br)C(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C14H11Br2NO/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,3,4,6,2,5,17,7,12,9,18,8,11,10/rA:18nCCCCCCCBrCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br2NO |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8682 |
Area: | 451.303 |
Solvation: | -1.41438 |
Coulombic: | -23.7823 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.5 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|