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Chemical ID: 7316772
Chemical ID:
7316772
Name [?]:
N-(2-chloro-4-fluoro-phenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Nc3ccc(cc3Cl)F
InChi [?]:
InChI=1/C17H13ClFNO2/c1-10-2-4-13-11(9-22-16(13)6-10)7-17(21)20-15-5-3-12(19)8-14(15)18/h2-6,8-9H,7H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,4,16,7,11,19,9,2,10,18,5,20,15,6,12,21,22,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClFNO2 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50354 |
Area: | 500.764 |
Solvation: | -4.01557 |
Coulombic: | -30.9053 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.742 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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