2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile

C24H19FN2O2 — CID 139388367

IUPAC2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile
SMILESCN(Cc1ccc(-c2ccc(C#N)c(F)c2)cc1)Cc1ccc2c(c1)COC2=O
InChIInChI=1S/C24H19FN2O2/c1-27(14-17-4-9-22-21(10-17)15-29-24(22)28)13-16-2-5-18(6-3-16)19-7-8-20(12-26)23(25)11-19/h2-11H,13-15H2,1H3
InChIKeyIQIUGONRJBMMDL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.67
Rot. Bonds5

About 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile

2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile (PubChem CID 139388367) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile
PubChem CID139388367
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile
SMILESCN(Cc1ccc(-c2ccc(C#N)c(F)c2)cc1)Cc1ccc2c(c1)COC2=O
InChIInChI=1S/C24H19FN2O2/c1-27(14-17-4-9-22-21(10-17)15-29-24(22)28)13-16-2-5-18(6-3-16)19-7-8-20(12-26)23(25)11-19/h2-11H,13-15H2,1H3
InChIKeyIQIUGONRJBMMDL-UHFFFAOYSA-N
XLogP4.67
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile (CID 139388367) is 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile is CN(Cc1ccc(-c2ccc(C#N)c(F)c2)cc1)Cc1ccc2c(c1)COC2=O.
What is the InChIKey of 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile?
The InChIKey is IQIUGONRJBMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-27(14-17-4-9-22-21(10-17)15-29-24(22)28)13-16-2-5-18(6-3-16)19-7-8-20(12-26)23(25)11-19/h2-11H,13-15H2,1H3.
What are the key properties of 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile?
2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile has a molecular weight of 386.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[[methyl-[(1-oxo-3H-2-benzofuran-5-yl)methyl]amino]methyl]phenyl]benzonitrile is sourced from PubChem (CID 139388367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).