N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride

C23H22ClFN2O3 — CID 171151373

IUPACN-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21FN2O3.ClH/c24-20-11-9-18(10-12-20)16-21(26-13-5-4-8-22(26)28)23(29)25(14-15-27)17-19-6-2-1-3-7-19;/h1-13,16,27H,14-15,17H2;1H
InChIKeySNVITIDEUGXQRD-UHFFFAOYSA-N
MW428.89 g/mol
LogP3.43
Rot. Bonds7

About N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride

N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride (PubChem CID 171151373) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride
PubChem CID171151373
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC NameN-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21FN2O3.ClH/c24-20-11-9-18(10-12-20)16-21(26-13-5-4-8-22(26)28)23(29)25(14-15-27)17-19-6-2-1-3-7-19;/h1-13,16,27H,14-15,17H2;1H
InChIKeySNVITIDEUGXQRD-UHFFFAOYSA-N
XLogP3.43
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride 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-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride (CID 171151373) is N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride is Cl.O=C(C(=Cc1ccc(F)cc1)n1ccccc1=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride?
The InChIKey is SNVITIDEUGXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3.ClH/c24-20-11-9-18(10-12-20)16-21(26-13-5-4-8-22(26)28)23(29)25(14-15-27)17-19-6-2-1-3-7-19;/h1-13,16,27H,14-15,17H2;1H.
What are the key properties of N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride?
N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride has a molecular weight of 428.89 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 171151373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).