2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C18H17FN4O3 — CID 31334048

IUPAC2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccnc2)C1=O
InChIInChI=1S/C18H17FN4O3/c1-18(13-4-6-14(19)7-5-13)16(25)23(17(26)22-18)11-15(24)21-10-12-3-2-8-20-9-12/h2-9H,10-11H2,1H3,(H,21,24)(H,22,26)/t18-/m0/s1
InChIKeyFPXQSZGLUNHGHA-SFHVURJKSA-N
MW356.36 g/mol
LogP1.30
Rot. Bonds5

About 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 31334048) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID31334048
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccnc2)C1=O
InChIInChI=1S/C18H17FN4O3/c1-18(13-4-6-14(19)7-5-13)16(25)23(17(26)22-18)11-15(24)21-10-12-3-2-8-20-9-12/h2-9H,10-11H2,1H3,(H,21,24)(H,22,26)/t18-/m0/s1
InChIKeyFPXQSZGLUNHGHA-SFHVURJKSA-N
XLogP1.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.30
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 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 31334048) is 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cccnc2)C1=O.
What is the InChIKey of 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FPXQSZGLUNHGHA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-18(13-4-6-14(19)7-5-13)16(25)23(17(26)22-18)11-15(24)21-10-12-3-2-8-20-9-12/h2-9H,10-11H2,1H3,(H,21,24)(H,22,26)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 356.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 31334048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).