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Chemical ID: 7474147
Chemical ID:
7474147
Name [?]:
2-(4-bromo-3-methyl-phenoxy)-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(c(c2)C)Br)C
InChi [?]:
InChI=1/C17H18BrNO2/c1-11-5-4-6-12(2)17(11)19-16(20)10-21-14-7-8-15(18)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,19,4,3,5,14,15,18,11,2,6,17,13,16,9,7,20,8,10,12/E:(1,2)(5,6)(11,12)/rA:21nCCCCCCCNCOCOCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18BrNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54218 |
Area: | 505.191 |
Solvation: | -4.08759 |
Coulombic: | -28.472 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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