5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C16H18FN3O4 — CID 70771545

IUPAC5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CC(OCc3ccccc3F)C2)N1
InChIInChI=1S/C16H18FN3O4/c17-12-4-2-1-3-10(12)9-24-11-7-20(8-11)14(21)6-5-13-15(22)19-16(23)18-13/h1-4,11,13H,5-9H2,(H2,18,19,22,23)
InChIKeyKCKUCUYJNVIRPC-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.54
Rot. Bonds6

About 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 70771545) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID70771545
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CC(OCc3ccccc3F)C2)N1
InChIInChI=1S/C16H18FN3O4/c17-12-4-2-1-3-10(12)9-24-11-7-20(8-11)14(21)6-5-13-15(22)19-16(23)18-13/h1-4,11,13H,5-9H2,(H2,18,19,22,23)
InChIKeyKCKUCUYJNVIRPC-UHFFFAOYSA-N
XLogP0.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136988459
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 118780145
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
CID 131942530
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
6-[(2-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-(3-methylsulfanylpropanoyl)-1,4-diazepan-2-one
CID 45162751
5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156822960
(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97156162
4-(cyclopropanecarbonyl)-6-[(2-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 45164304

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 70771545) is 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CC(OCc3ccccc3F)C2)N1.
What is the InChIKey of 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is KCKUCUYJNVIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c17-12-4-2-1-3-10(12)9-24-11-7-20(8-11)14(21)6-5-13-15(22)19-16(23)18-13/h1-4,11,13H,5-9H2,(H2,18,19,22,23).
What are the key properties of 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 335.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70771545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).