Chemical ID: 6325431

COc1ccc(c(c1)OC)C(=O)Nc2ccc(cc2F)Br
Chemical ID:
6325431
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-2,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C15H13BrFNO3/c1-20-10-4-5-11(14(8-10)21-2)15(19)18-13-6-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,16,4,5,15,18,8,17,3,6,19,14,7,11,21,20,13,12,2,9/rA:21nCOCCCCCCOCCONCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrFNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.88883
Area:482.19
Solvation:-5.16591
Coulombic:-38.9589
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.171
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):2.88

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