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

C20H22ClFN2O — CID 23723522

IUPAC2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)12-20(25)23-18-5-3-11-24(14-18)13-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25)
InChIKeyKIZGDKVJPQEKQH-UHFFFAOYSA-N
MW360.86 g/mol
LogP3.80
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 23723522) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
PubChem CID23723522
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)12-20(25)23-18-5-3-11-24(14-18)13-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25)
InChIKeyKIZGDKVJPQEKQH-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 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide (CID 23723522) is 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is KIZGDKVJPQEKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-17-9-7-15(8-10-17)12-20(25)23-18-5-3-11-24(14-18)13-16-4-1-2-6-19(16)22/h1-2,4,6-10,18H,3,5,11-14H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]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 2-(4-chlorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 23723522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).