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Chemical ID: 6325431
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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