N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide

C18H18FNO2 — CID 30870786

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO2/c1-13(2)10-18(21)20-16-4-3-5-17(11-16)22-12-14-6-8-15(19)9-7-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyCSWWPSMWZFDMJP-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.31
Rot. Bonds5

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide (PubChem CID 30870786) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide
PubChem CID30870786
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO2/c1-13(2)10-18(21)20-16-4-3-5-17(11-16)22-12-14-6-8-15(19)9-7-14/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyCSWWPSMWZFDMJP-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-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-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide (CID 30870786) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide?
The InChIKey is CSWWPSMWZFDMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(2)10-18(21)20-16-4-3-5-17(11-16)22-12-14-6-8-15(19)9-7-14/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 30870786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).