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Chemical ID: 4409283
Chemical ID:
4409283
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2c(cc(cc2C)Br)C
InChi [?]:
InChI=1/C16H16BrNO/c1-10-6-4-5-7-14(10)16(19)18-15-11(2)8-13(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,19,4,5,3,6,15,13,2,16,12,14,7,11,8,18,10,9/E:(2,3)(8,9)(11,12)/rA:19nCCCCCCCCONCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16BrNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77592 |
Area: | 453.214 |
Solvation: | -1.55443 |
Coulombic: | -23.3292 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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