Chemical ID: 4500235

CCc1ccc2c(c1)c(c(o2)C(=O)Nc3ccccc3F)C
Chemical ID:
4500235
Name [?]:
5-ethyl-N-(2-fluorophenyl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCc1ccc2c(c1)c(c(o2)C(=O)Nc3ccccc3F)C
InChi [?]:
InChI=1/C18H16FNO2/c1-3-12-8-9-16-13(10-12)11(2)17(22-16)18(21)20-15-7-5-4-6-14(15)19/h4-10H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,17,19,16,4,5,8,9,3,7,20,15,6,10,12,21,14,13,11/rA:22nCCCCCCCCCCOCONCCCCCCFC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.95496
Area:489.616
Solvation:-2.28543
Coulombic:-37.0697
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.324
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.25
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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