(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide

C16H18FN3O2 — CID 163432718

IUPAC(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC/C(=C\N=C(/C)c1cccc(F)c1)C(=O)NC1CCNC1=O
InChIInChI=1S/C16H18FN3O2/c1-10(15(21)20-14-6-7-18-16(14)22)9-19-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,18,22)(H,20,21)/b10-9+,19-11+
InChIKeyARWLBBRYVOQGCR-FWTLAULQSA-N
MW303.34 g/mol
LogP1.54
Rot. Bonds4

About (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide

(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide (PubChem CID 163432718) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide
PubChem CID163432718
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC/C(=C\N=C(/C)c1cccc(F)c1)C(=O)NC1CCNC1=O
InChIInChI=1S/C16H18FN3O2/c1-10(15(21)20-14-6-7-18-16(14)22)9-19-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,18,22)(H,20,21)/b10-9+,19-11+
InChIKeyARWLBBRYVOQGCR-FWTLAULQSA-N
XLogP1.54
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-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

Related Compounds

N-(3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 71784582
2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 11472697
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-9-(3,4-difluorophenyl)-2-methyl-1,3,4,7-tetrahydropyrido[3,4-c]azepine-6-carboxamide
CID 70866298
2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 72975011
(E)-3-[1-(2,4-difluorophenyl)ethylideneamino]-2-methyl-N-(2-pyrrolidin-1-ylethyl)but-2-enamide
CID 89011210
(E)-3-[1-(3,4-difluorophenyl)ethylideneamino]-2-methyl-N-(2-pyrrolidin-1-ylethyl)but-2-enamide
CID 89011212
4-(butylaminomethyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-fluoro-4-methylphenyl)-3H-pyrrole-5-carboxamide
CID 89797093
3-(4-fluorophenyl)-7-methyl-N-[2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]ethyl]-1-propan-2-yl-7,8-dihydropyrrolo[1,2-a]azepin-4-ium-6-carboxamide
CID 123713316
2-[[2-cycloheptylidene-2-[1-(3,4-difluorophenyl)ethylideneamino]acetyl]amino]-N,3,3-trimethylbutanamide
CID 144012001
N-(1-amino-4,4-dimethyl-1-oxopentan-2-yl)-4-[[butyl(methyl)amino]methyl]-2-(3,4-difluorophenyl)-3H-pyrrole-5-carboxamide
CID 145538733
(3E,4E)-4-[(Z)-2-[C-[(E)-2-amino-1-chloroethenyl]-N-methylcarbonimidoyl]pent-2-enylidene]-1-[1-amino-3-(3-fluorophenyl)propan-2-yl]-3-ethylidenepyrrolidin-2-one
CID 145561447
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 171781233

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide (CID 163432718) is (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide is C/C(=C\N=C(/C)c1cccc(F)c1)C(=O)NC1CCNC1=O.
What is the InChIKey of (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide?
The InChIKey is ARWLBBRYVOQGCR-FWTLAULQSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10(15(21)20-14-6-7-18-16(14)22)9-19-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,18,22)(H,20,21)/b10-9+,19-11+.
What are the key properties of (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide?
(E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide has a molecular weight of 303.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(3-fluorophenyl)ethylideneamino]-2-methyl-N-(2-oxopyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 163432718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).