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

C19H20FNO3 — CID 142176554

IUPAC(Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide
SMILESC/C(O)=C/C(=O)N(C)Cc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-14(22)11-19(23)21(2)12-16-5-3-4-6-18(16)24-13-15-7-9-17(20)10-8-15/h3-11,22H,12-13H2,1-2H3/b14-11-
InChIKeyZYKZFTABMNXOSY-KAMYIIQDSA-N
MW329.37 g/mol
LogP3.82
Rot. Bonds6

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

(Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide (PubChem CID 142176554) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide
PubChem CID142176554
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide
SMILESC/C(O)=C/C(=O)N(C)Cc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c1-14(22)11-19(23)21(2)12-16-5-3-4-6-18(16)24-13-15-7-9-17(20)10-8-15/h3-11,22H,12-13H2,1-2H3/b14-11-
InChIKeyZYKZFTABMNXOSY-KAMYIIQDSA-N
XLogP3.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide (CID 142176554) is (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide is C/C(O)=C/C(=O)N(C)Cc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide?
The InChIKey is ZYKZFTABMNXOSY-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-14(22)11-19(23)21(2)12-16-5-3-4-6-18(16)24-13-15-7-9-17(20)10-8-15/h3-11,22H,12-13H2,1-2H3/b14-11-.
What are the key properties of (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide?
(Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide has a molecular weight of 329.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 142176554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).