2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

C20H22Cl2N2O3 — CID 121141679

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N2O3/c1-26-17-3-2-10-24(12-17)16-7-5-15(6-8-16)23-20(25)13-27-19-9-4-14(21)11-18(19)22/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeySYXQDJWHTPKYIX-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.63
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (PubChem CID 121141679) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
PubChem CID121141679
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
SMILESCOC1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N2O3/c1-26-17-3-2-10-24(12-17)16-7-5-15(6-8-16)23-20(25)13-27-19-9-4-14(21)11-18(19)22/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeySYXQDJWHTPKYIX-UHFFFAOYSA-N
XLogP4.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
2-(2,4-dichlorophenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5024260
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide (CID 121141679) is 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is COC1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
The InChIKey is SYXQDJWHTPKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-26-17-3-2-10-24(12-17)16-7-5-15(6-8-16)23-20(25)13-27-19-9-4-14(21)11-18(19)22/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide has a molecular weight of 409.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 121141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).