N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide

C27H28Cl2N2O2 — CID 15434909

IUPACN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C27H28Cl2N2O2/c28-23-12-11-21(18-24(23)29)25(19-30-26(32)17-20-7-3-1-4-8-20)31-15-13-27(33,14-16-31)22-9-5-2-6-10-22/h1-12,18,25,33H,13-17,19H2,(H,30,32)
InChIKeyQLVJVAYIHNPTRE-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.38
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide

N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide (PubChem CID 15434909) has the molecular formula C27H28Cl2N2O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide
PubChem CID15434909
Molecular FormulaC27H28Cl2N2O2
Molecular Weight483.44 g/mol
Exact Mass482.15
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C27H28Cl2N2O2/c28-23-12-11-21(18-24(23)29)25(19-30-26(32)17-20-7-3-1-4-8-20)31-15-13-27(33,14-16-31)22-9-5-2-6-10-22/h1-12,18,25,33H,13-17,19H2,(H,30,32)
InChIKeyQLVJVAYIHNPTRE-UHFFFAOYSA-N
XLogP5.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide (CID 15434909) is N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is QLVJVAYIHNPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O2/c28-23-12-11-21(18-24(23)29)25(19-30-26(32)17-20-7-3-1-4-8-20)31-15-13-27(33,14-16-31)22-9-5-2-6-10-22/h1-12,18,25,33H,13-17,19H2,(H,30,32).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide?
N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 483.44 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 15434909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).