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Chemical ID: 7269088
Chemical ID:
7269088
Name [?]:
2-(4-bromo-2-methyl-phenyl)amino-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CNc2ccc(cc2C)Br
InChi [?]:
InChI=1/C16H17BrN2O/c1-11-5-3-4-6-15(11)19-16(20)10-18-14-8-7-13(17)9-12(14)2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,15,14,17,11,2,18,16,13,7,9,20,12,8,10/rA:20nCCCCCCCNCOCNCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17BrN2O |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91829 |
Area: | 493.439 |
Solvation: | -2.41767 |
Coulombic: | -33.6501 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.223 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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