N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide

C21H15Cl3FN3O3 — CID 71835046

IUPACN-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)nc2cc(Cl)c(F)cc12
InChIInChI=1S/C21H15Cl3FN3O3/c1-10-6-18(26-16-8-14(23)15(25)7-12(10)16)31-9-17(29)27-28-20(19(24)21(28)30)11-4-2-3-5-13(11)22/h2-8,19-20H,9H2,1H3,(H,27,29)
InChIKeyXCJLRNLPCFOKRN-UHFFFAOYSA-N
MW482.73 g/mol
LogP4.59
Rot. Bonds5

About N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide

N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide (PubChem CID 71835046) has the molecular formula C21H15Cl3FN3O3 and a molecular weight of 482.73 g/mol. Its IUPAC name is N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide
PubChem CID71835046
Molecular FormulaC21H15Cl3FN3O3
Molecular Weight482.73 g/mol
Exact Mass481.02
IUPAC NameN-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)nc2cc(Cl)c(F)cc12
InChIInChI=1S/C21H15Cl3FN3O3/c1-10-6-18(26-16-8-14(23)15(25)7-12(10)16)31-9-17(29)27-28-20(19(24)21(28)30)11-4-2-3-5-13(11)22/h2-8,19-20H,9H2,1H3,(H,27,29)
InChIKeyXCJLRNLPCFOKRN-UHFFFAOYSA-N
XLogP4.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.73
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide?
The IUPAC name of N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide (CID 71835046) is N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide.
What is the SMILES notation for N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide?
The canonical SMILES for N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide is Cc1cc(OCC(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)nc2cc(Cl)c(F)cc12.
What is the InChIKey of N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide?
The InChIKey is XCJLRNLPCFOKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3FN3O3/c1-10-6-18(26-16-8-14(23)15(25)7-12(10)16)31-9-17(29)27-28-20(19(24)21(28)30)11-4-2-3-5-13(11)22/h2-8,19-20H,9H2,1H3,(H,27,29).
What are the key properties of N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide?
N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide has a molecular weight of 482.73 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide is sourced from PubChem (CID 71835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).