N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide

C18H16Cl2N2O3 — CID 25023378

IUPACN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-14-8-4-12(5-9-14)17-16(20)18(24)22(17)21-15(23)10-11-2-6-13(19)7-3-11/h2-9,16-17H,10H2,1H3,(H,21,23)
InChIKeyKNZGVVDLPQWNEX-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.11
Rot. Bonds5

About N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide

N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 25023378) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
PubChem CID25023378
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC NameN-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-14-8-4-12(5-9-14)17-16(20)18(24)22(17)21-15(23)10-11-2-6-13(19)7-3-11/h2-9,16-17H,10H2,1H3,(H,21,23)
InChIKeyKNZGVVDLPQWNEX-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 10790323
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4938312
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide (CID 25023378) is N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide is COc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is KNZGVVDLPQWNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-25-14-8-4-12(5-9-14)17-16(20)18(24)22(17)21-15(23)10-11-2-6-13(19)7-3-11/h2-9,16-17H,10H2,1H3,(H,21,23).
What are the key properties of N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide?
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 379.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 25023378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).