Chemical ID: 7305720

CCC(C)NC(=O)c1cc(ccc1Br)OC
Chemical ID:
7305720
Name [?]:
2-bromo-5-methoxy-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1Br)OC
InChi [?]:
InChI=1/C12H16BrNO2/c1-4-8(2)14-12(15)10-7-9(16-3)5-6-11(10)13/h5-8H,4H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,16,2,11,12,9,3,10,8,13,6,14,5,7,15/rA:16cCCCCNCOCCCCCCBrOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO2
All Atoms:32
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.76994
Area:423.641
Solvation:-2.82109
Coulombic:-29.217
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.165
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):2.71

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