N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide

C14H14FNO2 — CID 156500219

IUPACN-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1oc2cccc(F)c2c1C
InChIInChI=1S/C14H14FNO2/c1-4-13(17)16(3)8-12-9(2)14-10(15)6-5-7-11(14)18-12/h4-7H,1,8H2,2-3H3
InChIKeySPRBHGBUFZCLHU-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.02
Rot. Bonds3

About N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide

N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide (PubChem CID 156500219) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide
PubChem CID156500219
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1oc2cccc(F)c2c1C
InChIInChI=1S/C14H14FNO2/c1-4-13(17)16(3)8-12-9(2)14-10(15)6-5-7-11(14)18-12/h4-7H,1,8H2,2-3H3
InChIKeySPRBHGBUFZCLHU-UHFFFAOYSA-N
XLogP3.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide 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 N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide (CID 156500219) is N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1oc2cccc(F)c2c1C.
What is the InChIKey of N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is SPRBHGBUFZCLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-4-13(17)16(3)8-12-9(2)14-10(15)6-5-7-11(14)18-12/h4-7H,1,8H2,2-3H3.
What are the key properties of N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide?
N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 247.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 156500219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).