N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

C16H10F4N4O3 — CID 2217039

IUPACN-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccnc1
InChIInChI=1S/C16H10F4N4O3/c17-10-5-1-2-6-11(10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-4-3-7-21-8-9/h1-8H,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyNSQASXFZAZGASJ-OAHLLOKOSA-N
MW382.27 g/mol
LogP1.97
Rot. Bonds3

About N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 2217039) has the molecular formula C16H10F4N4O3 and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
PubChem CID2217039
Molecular FormulaC16H10F4N4O3
Molecular Weight382.27 g/mol
Exact Mass382.07
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccnc1
InChIInChI=1S/C16H10F4N4O3/c17-10-5-1-2-6-11(10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-4-3-7-21-8-9/h1-8H,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyNSQASXFZAZGASJ-OAHLLOKOSA-N
XLogP1.97
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (CID 2217039) is N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O)c1cccnc1.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is NSQASXFZAZGASJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H10F4N4O3/c17-10-5-1-2-6-11(10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-4-3-7-21-8-9/h1-8H,(H,22,25)(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2217039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).