3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide

C18H26Cl2N2O4 — CID 156723728

IUPAC3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
SMILESCCC(O)C(=O)N(C)CC(=O)N1CCCCC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H22N2O3.C6H4Cl2O/c1-3-10(15)12(17)13(2)9-11(16)14-7-5-4-6-8-14;7-5-2-1-4(9)3-6(5)8/h10,15H,3-9H2,1-2H3;1-3,9H
InChIKeyYINMLIDZTOKHPB-UHFFFAOYSA-N
MW405.32 g/mol
LogP2.93
Rot. Bonds4

About 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide

3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide (PubChem CID 156723728) has the molecular formula C18H26Cl2N2O4 and a molecular weight of 405.32 g/mol. Its IUPAC name is 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
PubChem CID156723728
Molecular FormulaC18H26Cl2N2O4
Molecular Weight405.32 g/mol
Exact Mass404.13
IUPAC Name3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
SMILESCCC(O)C(=O)N(C)CC(=O)N1CCCCC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H22N2O3.C6H4Cl2O/c1-3-10(15)12(17)13(2)9-11(16)14-7-5-4-6-8-14;7-5-2-1-4(9)3-6(5)8/h10,15H,3-9H2,1-2H3;1-3,9H
InChIKeyYINMLIDZTOKHPB-UHFFFAOYSA-N
XLogP2.93
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The IUPAC name of 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide (CID 156723728) is 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide is CCC(O)C(=O)N(C)CC(=O)N1CCCCC1.Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The InChIKey is YINMLIDZTOKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.C6H4Cl2O/c1-3-10(15)12(17)13(2)9-11(16)14-7-5-4-6-8-14;7-5-2-1-4(9)3-6(5)8/h10,15H,3-9H2,1-2H3;1-3,9H.
What are the key properties of 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide has a molecular weight of 405.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorophenol;2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 156723728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).