3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide

C20H18F2N2O2 — CID 135391092

IUPAC3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)CC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=1S/C20H18F2N2O2/c1-24(2)19(25)18(22)10-20(15-4-6-16(21)7-5-15)17-8-3-13(11-23)9-14(17)12-26-20/h3-9,18H,10,12H2,1-2H3
InChIKeyGSIMFGSHXVIOSE-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.29
Rot. Bonds4

About 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide

3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide (PubChem CID 135391092) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide
PubChem CID135391092
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)CC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=1S/C20H18F2N2O2/c1-24(2)19(25)18(22)10-20(15-4-6-16(21)7-5-15)17-8-3-13(11-23)9-14(17)12-26-20/h3-9,18H,10,12H2,1-2H3
InChIKeyGSIMFGSHXVIOSE-UHFFFAOYSA-N
XLogP3.29
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide (CID 135391092) is 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide is CN(C)C(=O)C(F)CC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.
What is the InChIKey of 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide?
The InChIKey is GSIMFGSHXVIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-24(2)19(25)18(22)10-20(15-4-6-16(21)7-5-15)17-8-3-13(11-23)9-14(17)12-26-20/h3-9,18H,10,12H2,1-2H3.
What are the key properties of 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide?
3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide has a molecular weight of 356.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-2-fluoro-N,N-dimethylpropanamide is sourced from PubChem (CID 135391092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).