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Chemical ID: 7304806
Chemical ID:
7304806
Name [?]:
N-(3-fluoro-4-methyl-phenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Nc3ccc(c(c3)F)C
InChi [?]:
InChI=1/C18H16FNO2/c1-11-3-6-15-13(10-22-17(15)7-11)8-18(21)20-14-5-4-12(2)16(19)9-14/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,17,16,4,7,11,20,9,2,18,10,15,5,19,6,12,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FNO2 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02051 |
Area: | 492.641 |
Solvation: | -4.29553 |
Coulombic: | -30.6317 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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