N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide

C20H22ClFN2O — CID 23723289

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)13-24-11-3-5-18(14-24)23-20(25)12-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25)
InChIKeyBQJPOUCEBYMCNU-UHFFFAOYSA-N
MW360.86 g/mol
LogP3.80
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 23723289) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide
PubChem CID23723289
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)13-24-11-3-5-18(14-24)23-20(25)12-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25)
InChIKeyBQJPOUCEBYMCNU-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide (CID 23723289) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is BQJPOUCEBYMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)13-24-11-3-5-18(14-24)23-20(25)12-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 23723289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).