N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide

C25H23Cl3N2O — CID 71176016

IUPACN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O/c26-19-8-6-18(7-9-19)24-16-21(29-25(31)14-17-4-2-1-3-5-17)12-13-30(24)23-11-10-20(27)15-22(23)28/h1-11,15,21,24H,12-14,16H2,(H,29,31)
InChIKeyKUPUSHNQJNYIQS-UHFFFAOYSA-N
MW473.83 g/mol
LogP6.72
Rot. Bonds5

About N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide

N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide (PubChem CID 71176016) has the molecular formula C25H23Cl3N2O and a molecular weight of 473.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
PubChem CID71176016
Molecular FormulaC25H23Cl3N2O
Molecular Weight473.83 g/mol
Exact Mass472.09
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H23Cl3N2O/c26-19-8-6-18(7-9-19)24-16-21(29-25(31)14-17-4-2-1-3-5-17)12-13-30(24)23-11-10-20(27)15-22(23)28/h1-11,15,21,24H,12-14,16H2,(H,29,31)
InChIKeyKUPUSHNQJNYIQS-UHFFFAOYSA-N
XLogP6.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide (CID 71176016) is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide?
The InChIKey is KUPUSHNQJNYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O/c26-19-8-6-18(7-9-19)24-16-21(29-25(31)14-17-4-2-1-3-5-17)12-13-30(24)23-11-10-20(27)15-22(23)28/h1-11,15,21,24H,12-14,16H2,(H,29,31).
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide?
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide has a molecular weight of 473.83 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 71176016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).