N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C17H13Cl4N3O4 — CID 10790323

IUPACN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCOc1ccc(C2C(Cl)C(=O)N2NC(=O)COc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H13Cl4N3O4/c1-27-9-4-2-8(3-5-9)14-13(20)17(26)24(14)23-12(25)7-28-16-11(19)6-10(18)15(21)22-16/h2-6,13-14H,7H2,1H3,(H,23,25)
InChIKeyUPDLBLSYIVTSOU-UHFFFAOYSA-N
MW465.12 g/mol
LogP3.65
Rot. Bonds6

About N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 10790323) has the molecular formula C17H13Cl4N3O4 and a molecular weight of 465.12 g/mol. Its IUPAC name is N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID10790323
Molecular FormulaC17H13Cl4N3O4
Molecular Weight465.12 g/mol
Exact Mass462.97
IUPAC NameN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCOc1ccc(C2C(Cl)C(=O)N2NC(=O)COc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H13Cl4N3O4/c1-27-9-4-2-8(3-5-9)14-13(20)17(26)24(14)23-12(25)7-28-16-11(19)6-10(18)15(21)22-16/h2-6,13-14H,7H2,1H3,(H,23,25)
InChIKeyUPDLBLSYIVTSOU-UHFFFAOYSA-N
XLogP3.65
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.12
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 10551124
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
CID 25023378
2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11668575
N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 19890366
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)oxyacetamide
CID 71835046
3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one
CID 23656424
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 19890364
N-[(1S,2R,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 98290754
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
2-(4-chloro-3-methylphenoxy)-N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 23306743

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 10790323) is N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is COc1ccc(C2C(Cl)C(=O)N2NC(=O)COc2nc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is UPDLBLSYIVTSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl4N3O4/c1-27-9-4-2-8(3-5-9)14-13(20)17(26)24(14)23-12(25)7-28-16-11(19)6-10(18)15(21)22-16/h2-6,13-14H,7H2,1H3,(H,23,25).
What are the key properties of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 465.12 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 10790323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).