3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione

C16H18ClN3O4 — CID 121159364

IUPAC3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18ClN3O4/c1-16(2,24-12-5-3-10(17)4-6-12)14(22)19-8-11(9-19)20-13(21)7-18-15(20)23/h3-6,11H,7-9H2,1-2H3,(H,18,23)
InChIKeyBPGXQEWPBDTRNS-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.26
Rot. Bonds4

About 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159364) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159364
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18ClN3O4/c1-16(2,24-12-5-3-10(17)4-6-12)14(22)19-8-11(9-19)20-13(21)7-18-15(20)23/h3-6,11H,7-9H2,1-2H3,(H,18,23)
InChIKeyBPGXQEWPBDTRNS-UHFFFAOYSA-N
XLogP1.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178554
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159450
2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247157
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
CID 122247952
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 167632774
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione (CID 121159364) is 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is BPGXQEWPBDTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-16(2,24-12-5-3-10(17)4-6-12)14(22)19-8-11(9-19)20-13(21)7-18-15(20)23/h3-6,11H,7-9H2,1-2H3,(H,18,23).
What are the key properties of 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 351.79 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).