Chemical ID: 5553589

CCC(CC)NC(=O)COc1ccc(cc1)Br
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

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Descriptor Annotations

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