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

C15H20ClFN2O — CID 171335089

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CF)C1)NCc1ccccc1Cl
InChIInChI=1S/C15H20ClFN2O/c16-14-6-2-1-5-13(14)9-18-15(20)11-19-7-3-4-12(8-17)10-19/h1-2,5-6,12H,3-4,7-11H2,(H,18,20)
InChIKeySZSXGPQKPCGPGQ-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.64
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide (PubChem CID 171335089) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
PubChem CID171335089
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CF)C1)NCc1ccccc1Cl
InChIInChI=1S/C15H20ClFN2O/c16-14-6-2-1-5-13(14)9-18-15(20)11-19-7-3-4-12(8-17)10-19/h1-2,5-6,12H,3-4,7-11H2,(H,18,20)
InChIKeySZSXGPQKPCGPGQ-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 62062007
N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 55064418
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111750125
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide (CID 171335089) is N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(CF)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is SZSXGPQKPCGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-14-6-2-1-5-13(14)9-18-15(20)11-19-7-3-4-12(8-17)10-19/h1-2,5-6,12H,3-4,7-11H2,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 298.79 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 171335089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).