2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide

C21H22Cl2N2O4 — CID 137380578

IUPAC2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O4/c22-16-1-5-18(6-2-16)28-13-20(26)24-10-9-15-11-25(12-15)21(27)14-29-19-7-3-17(23)4-8-19/h1-8,15H,9-14H2,(H,24,26)
InChIKeyDTEQGUNGBADTLS-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.42
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide (PubChem CID 137380578) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
PubChem CID137380578
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC1CN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O4/c22-16-1-5-18(6-2-16)28-13-20(26)24-10-9-15-11-25(12-15)21(27)14-29-19-7-3-17(23)4-8-19/h1-8,15H,9-14H2,(H,24,26)
InChIKeyDTEQGUNGBADTLS-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
2-(4-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63263451
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(4-chlorophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 91776713
2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 155069111
2-(4-chlorophenoxy)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164311
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide (CID 137380578) is 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCC1CN(C(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide?
The InChIKey is DTEQGUNGBADTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c22-16-1-5-18(6-2-16)28-13-20(26)24-10-9-15-11-25(12-15)21(27)14-29-19-7-3-17(23)4-8-19/h1-8,15H,9-14H2,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide has a molecular weight of 437.32 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 137380578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).