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

C28H30ClFN2O — CID 23108587

IUPACN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(20-25-7-3-5-9-28(25)29)19-24-6-2-4-8-27(24)23-14-16-31(17-15-23)18-22-10-12-26(30)13-11-22/h2-13,23H,14-20H2,1H3
InChIKeyQWWHTGWAEPORHT-UHFFFAOYSA-N
MW465.01 g/mol
LogP6.41
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 23108587) has the molecular formula C28H30ClFN2O and a molecular weight of 465.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
PubChem CID23108587
Molecular FormulaC28H30ClFN2O
Molecular Weight465.01 g/mol
Exact Mass464.20
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(20-25-7-3-5-9-28(25)29)19-24-6-2-4-8-27(24)23-14-16-31(17-15-23)18-22-10-12-26(30)13-11-22/h2-13,23H,14-20H2,1H3
InChIKeyQWWHTGWAEPORHT-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

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

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Related Compounds

F16357
CID 19323337
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
(E)-3-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 895955
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
1-[1-(2,2-Diphenylethyl)-6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
CID 44395896
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
CID 46890911
N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 70683317
N-[[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-N-methylacetamide
CID 118718293
N-[[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118718296
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-(cyclohexylmethyl)acetamide
CID 145993168
1-{4-[1-(5-chloro-2-fluorobenzyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921302

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 23108587) is N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is CC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The InChIKey is QWWHTGWAEPORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O/c1-21(33)32(20-25-7-3-5-9-28(25)29)19-24-6-2-4-8-27(24)23-14-16-31(17-15-23)18-22-10-12-26(30)13-11-22/h2-13,23H,14-20H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
N-[(2-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-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 23108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).