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'}

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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).