2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide

C21H22Cl2N2O4 — CID 177253885

IUPAC2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O4/c22-14-1-7-18(8-2-14)28-12-20(26)24-16-5-6-17(11-16)25-21(27)13-29-19-9-3-15(23)4-10-19/h1-4,7-10,16-17H,5-6,11-13H2,(H,24,26)(H,25,27)
InChIKeyWUJVLYBFLXQQRX-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.60
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide

2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide (PubChem CID 177253885) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
PubChem CID177253885
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H22Cl2N2O4/c22-14-1-7-18(8-2-14)28-12-20(26)24-16-5-6-17(11-16)25-21(27)13-29-19-9-3-15(23)4-10-19/h1-4,7-10,16-17H,5-6,11-13H2,(H,24,26)(H,25,27)
InChIKeyWUJVLYBFLXQQRX-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-[4-(imino-λ3-iodanyl)cyclohexyl]acetamide
CID 155618732
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide (CID 177253885) is 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide?
The InChIKey is WUJVLYBFLXQQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c22-14-1-7-18(8-2-14)28-12-20(26)24-16-5-6-17(11-16)25-21(27)13-29-19-9-3-15(23)4-10-19/h1-4,7-10,16-17H,5-6,11-13H2,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide has a molecular weight of 437.32 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide is sourced from PubChem (CID 177253885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).