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Chemical ID: 5553589
Chemical ID:
5553589
Name [?]:
2-(4-bromophenoxy)-N-(1-ethylpropyl)acetamide
SMILES [?]:
CCC(CC)NC(=O)COc1ccc(cc1)Br
InChi [?]:
InChI=1/C13H18BrNO2/c1-3-11(4-2)15-13(16)9-17-12-7-5-10(14)6-8-12/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,15,12,16,9,14,3,11,7,17,6,8,10/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCNCOCOCCCCCCBr/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18BrNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92085 |
Area: | 455.918 |
Solvation: | -3.4771 |
Coulombic: | -29.4504 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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