3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C14H12ClFN2O4 — CID 122274782

IUPAC3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(F)cc1Cl)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H12ClFN2O4/c15-11-3-9(16)1-2-10(11)13(20)17-4-8(5-17)6-18-12(19)7-22-14(18)21/h1-3,8H,4-7H2
InChIKeyFOGPPQMWLSCWBQ-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.53
Rot. Bonds3

About 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274782) has the molecular formula C14H12ClFN2O4 and a molecular weight of 326.71 g/mol. Its IUPAC name is 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274782
Molecular FormulaC14H12ClFN2O4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Name3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccc(F)cc1Cl)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C14H12ClFN2O4/c15-11-3-9(16)1-2-10(11)13(20)17-4-8(5-17)6-18-12(19)7-22-14(18)21/h1-3,8H,4-7H2
InChIKeyFOGPPQMWLSCWBQ-UHFFFAOYSA-N
XLogP1.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[[1-(2,3,4-trimethoxybenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274915
2-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-4-fluorobenzamide
CID 119105390
3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022578
3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022571
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883
3-[[1-[3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 171137356
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 122274818
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
1-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47088369

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274782) is 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1ccc(F)cc1Cl)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is FOGPPQMWLSCWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4/c15-11-3-9(16)1-2-10(11)13(20)17-4-8(5-17)6-18-12(19)7-22-14(18)21/h1-3,8H,4-7H2.
What are the key properties of 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 326.71 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chloro-4-fluorobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).