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

C28H30ClFN2O — CID 23108922

IUPACN-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-6-10-26(29)11-7-23)20-25-4-2-3-5-28(25)24-14-16-31(17-15-24)18-22-8-12-27(30)13-9-22/h2-13,24H,14-20H2,1H3
InChIKeyNUNCIFGCSZWJFM-UHFFFAOYSA-N
MW465.01 g/mol
LogP6.41
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 23108922) has the molecular formula C28H30ClFN2O and a molecular weight of 465.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
PubChem CID23108922
Molecular FormulaC28H30ClFN2O
Molecular Weight465.01 g/mol
Exact Mass464.20
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-6-10-26(29)11-7-23)20-25-4-2-3-5-28(25)24-14-16-31(17-15-24)18-22-8-12-27(30)13-9-22/h2-13,24H,14-20H2,1H3
InChIKeyNUNCIFGCSZWJFM-UHFFFAOYSA-N
XLogP6.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.01
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 23108922) is N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(Cl)cc1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The InChIKey is NUNCIFGCSZWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-6-10-26(29)11-7-23)20-25-4-2-3-5-28(25)24-14-16-31(17-15-24)18-22-8-12-27(30)13-9-22/h2-13,24H,14-20H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide has a molecular weight of 465.01 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 23108922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).