2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide

C14H13FN6O3 — CID 175783171

IUPAC2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
SMILESC[C@]1(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)NC(=O)NC1=O
InChIInChI=1S/C14H13FN6O3/c1-14(12(23)18-13(24)19-14)7-16-11(22)10-6-17-21(20-10)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,16,22)(H2,18,19,23,24)/t14-/m1/s1
InChIKeyLHFGQYRURUPDIG-CQSZACIVSA-N
MW332.30 g/mol
LogP-0.27
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide

2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide (PubChem CID 175783171) has the molecular formula C14H13FN6O3 and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
PubChem CID175783171
Molecular FormulaC14H13FN6O3
Molecular Weight332.30 g/mol
Exact Mass332.10
IUPAC Name2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
SMILESC[C@]1(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)NC(=O)NC1=O
InChIInChI=1S/C14H13FN6O3/c1-14(12(23)18-13(24)19-14)7-16-11(22)10-6-17-21(20-10)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,16,22)(H2,18,19,23,24)/t14-/m1/s1
InChIKeyLHFGQYRURUPDIG-CQSZACIVSA-N
XLogP-0.27
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide 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-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 175783403
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
CID 111485653
N-[(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-(3,4-difluorophenyl)triazole-4-carboxamide
CID 166636596
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 164637668
2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
CID 146154734
N-[[(4R)-4-(oxan-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 175783320
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
3-[[2-(4-fluorophenyl)triazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207140
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 111566187
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
(2S)-2-[[2-(4-fluorophenyl)triazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119361393
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide (CID 175783171) is 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide is C[C@]1(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)NC(=O)NC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide?
The InChIKey is LHFGQYRURUPDIG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13FN6O3/c1-14(12(23)18-13(24)19-14)7-16-11(22)10-6-17-21(20-10)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,16,22)(H2,18,19,23,24)/t14-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide?
2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide has a molecular weight of 332.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 175783171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).