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Chemical ID: 7297357
Chemical ID:
7297357
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-3-(3,4-dimethoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(cc1OC)CCC(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C17H17BrFNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,5,11,18,17,4,12,7,20,6,19,21,16,3,8,13,23,22,15,14,2,9/rA:23nCOCCCCCCOCCCCONCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17BrFNO3 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56905 |
Area: | 542.416 |
Solvation: | -5.99135 |
Coulombic: | -38.428 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.224 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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