2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

C13H11FN6O3 — CID 136545421

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)c(-c3ncn[nH]3)c2)C(=O)N1
InChIInChI=1S/C13H11FN6O3/c14-9-2-1-7(3-8(9)12-15-6-16-19-12)17-10(21)4-20-5-11(22)18-13(20)23/h1-3,6H,4-5H2,(H,17,21)(H,15,16,19)(H,18,22,23)
InChIKeyMFOKNJDNSYUKIP-UHFFFAOYSA-N
MW318.27 g/mol
LogP0.10
Rot. Bonds4

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 136545421) has the molecular formula C13H11FN6O3 and a molecular weight of 318.27 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID136545421
Molecular FormulaC13H11FN6O3
Molecular Weight318.27 g/mol
Exact Mass318.09
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)c(-c3ncn[nH]3)c2)C(=O)N1
InChIInChI=1S/C13H11FN6O3/c14-9-2-1-7(3-8(9)12-15-6-16-19-12)17-10(21)4-20-5-11(22)18-13(20)23/h1-3,6H,4-5H2,(H,17,21)(H,15,16,19)(H,18,22,23)
InChIKeyMFOKNJDNSYUKIP-UHFFFAOYSA-N
XLogP0.10
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide 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

2-[5-(4,4-difluorocyclohexylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 118960814
2-(2,4-dioxoimidazolidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 92548275
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
CID 71844202
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136512861
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
N-(3-amino-4-fluorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62492016
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
CID 60972159
N-ethenyl-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 177351346
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 136545421) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C1CN(CC(=O)Nc2ccc(F)c(-c3ncn[nH]3)c2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is MFOKNJDNSYUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O3/c14-9-2-1-7(3-8(9)12-15-6-16-19-12)17-10(21)4-20-5-11(22)18-13(20)23/h1-3,6H,4-5H2,(H,17,21)(H,15,16,19)(H,18,22,23).
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 318.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 136545421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).