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

C20H22Cl2N2O2 — CID 137402151

IUPAC2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-3-1-15(2-4-17)9-10-24-12-16(13-24)11-23-20(25)14-26-19-7-5-18(22)6-8-19/h1-8,16H,9-14H2,(H,23,25)
InChIKeyRCKHGIRIKHTQDY-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.66
Rot. Bonds8

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

2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide (PubChem CID 137402151) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
PubChem CID137402151
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-3-1-15(2-4-17)9-10-24-12-16(13-24)11-23-20(25)14-26-19-7-5-18(22)6-8-19/h1-8,16H,9-14H2,(H,23,25)
InChIKeyRCKHGIRIKHTQDY-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
2-(4-chlorophenoxy)-N-[[1-(4-methoxyphenyl)azetidin-3-yl]methyl]acetamide
CID 137380565
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
CID 137380578
2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
CID 90567514
2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide (CID 137402151) is 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1CN(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The InChIKey is RCKHGIRIKHTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-3-1-15(2-4-17)9-10-24-12-16(13-24)11-23-20(25)14-26-19-7-5-18(22)6-8-19/h1-8,16H,9-14H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 137402151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).