3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide

C15H17FN4O3 — CID 9213604

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccccc2F)C1=O
InChIInChI=1S/C15H17FN4O3/c1-15(2)13(22)20(14(23)18-15)8-7-12(21)19-17-9-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,18,23)(H,19,21)/b17-9-
InChIKeyCVTGMCUECBRKHZ-MFOYZWKCSA-N
MW320.32 g/mol
LogP1.00
Rot. Bonds5

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide (PubChem CID 9213604) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
PubChem CID9213604
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccccc2F)C1=O
InChIInChI=1S/C15H17FN4O3/c1-15(2)13(22)20(14(23)18-15)8-7-12(21)19-17-9-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,18,23)(H,19,21)/b17-9-
InChIKeyCVTGMCUECBRKHZ-MFOYZWKCSA-N
XLogP1.00
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide 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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
CID 9213261
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213794
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 9213209
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(2-methylphenyl)ethylideneamino]propanamide
CID 9214057
[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9214062
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214464
N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214440
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577184
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide (CID 9213604) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide is CC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccccc2F)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The InChIKey is CVTGMCUECBRKHZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-15(2)13(22)20(14(23)18-15)8-7-12(21)19-17-9-10-5-3-4-6-11(10)16/h3-6,9H,7-8H2,1-2H3,(H,18,23)(H,19,21)/b17-9-.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide has a molecular weight of 320.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 9213604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).