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

C20H20Cl2N2O4 — CID 42525030

IUPAC2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1CCCCC1=O
InChIInChI=1S/C20H20Cl2N2O4/c1-27-18-11-14(6-7-16(18)24-9-3-2-4-20(24)26)23-19(25)12-28-17-8-5-13(21)10-15(17)22/h5-8,10-11H,2-4,9,12H2,1H3,(H,23,25)
InChIKeyFUXDITDEYYZSRE-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.54
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide (PubChem CID 42525030) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
PubChem CID42525030
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1CCCCC1=O
InChIInChI=1S/C20H20Cl2N2O4/c1-27-18-11-14(6-7-16(18)24-9-3-2-4-20(24)26)23-19(25)12-28-17-8-5-13(21)10-15(17)22/h5-8,10-11H,2-4,9,12H2,1H3,(H,23,25)
InChIKeyFUXDITDEYYZSRE-UHFFFAOYSA-N
XLogP4.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide (CID 42525030) is 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide is COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1CCCCC1=O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide?
The InChIKey is FUXDITDEYYZSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-27-18-11-14(6-7-16(18)24-9-3-2-4-20(24)26)23-19(25)12-28-17-8-5-13(21)10-15(17)22/h5-8,10-11H,2-4,9,12H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 423.30 g/mol, XLogP of 4.54, 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-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42525030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).