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Chemical ID: 7274862
Chemical ID:
7274862
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cc(cc(c2)C)C
InChi [?]:
InChI=1/C16H16BrNO/c1-10-4-5-15(14(17)9-10)18-16(19)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,3,4,15,17,13,7,2,16,14,12,6,5,10,8,9,11/E:(2,3)(7,8)(11,12)/rA:19nCCCCCCCBrNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16BrNO |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3295 |
Area: | 469.796 |
Solvation: | -1.41538 |
Coulombic: | -23.6944 |
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: | 5.1 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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