Chemical ID: 6176770

Cc1ccc(c(c1)OC)NC(=O)C(C(C)C)Br
Chemical ID:
6176770
Name [?]:
2-bromo-N-(2-methoxy-4-methyl-phenyl)-3-methyl-butanamide
SMILES [?]:
Cc1ccc(c(c1)OC)NC(=O)C(C(C)C)Br
InChi [?]:
InChI=1/C13H18BrNO2/c1-8(2)12(14)13(16)15-10-6-5-9(3)7-11(10)17-4/h5-8,12H,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,9,3,4,7,14,2,5,6,13,11,17,10,12,8/E:(1,2)/rA:17cCCCCCCCOCNCOCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;d11;s11;s13;s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18BrNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.37615
Area:444.169
Solvation:-2.72808
Coulombic:-29.4392
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.192
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):3.65

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Descriptor Annotations

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