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

C28H30ClFN2O — CID 23108573

IUPACN-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1cccc(Cl)c1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-5-4-7-26(29)17-23)20-25-6-2-3-8-28(25)24-13-15-31(16-14-24)18-22-9-11-27(30)12-10-22/h2-12,17,24H,13-16,18-20H2,1H3
InChIKeyFGMPRYRECARBAH-UHFFFAOYSA-N
MW465.01 g/mol
LogP6.41
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 23108573) has the molecular formula C28H30ClFN2O and a molecular weight of 465.01 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
PubChem CID23108573
Molecular FormulaC28H30ClFN2O
Molecular Weight465.01 g/mol
Exact Mass464.20
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1cccc(Cl)c1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-5-4-7-26(29)17-23)20-25-6-2-3-8-28(25)24-13-15-31(16-14-24)18-22-9-11-27(30)12-10-22/h2-12,17,24H,13-16,18-20H2,1H3
InChIKeyFGMPRYRECARBAH-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-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
1-[4-[4-[(3-Chloro-5-fluorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389751
Gsk-424887
CID 76958276
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
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-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 46890960
N-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 70683317
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
(E)-3-(3-chloro-2-fluorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]prop-2-enamide
CID 44525807
N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134795929

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 23108573) is N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is CC(=O)N(Cc1cccc(Cl)c1)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The InChIKey is FGMPRYRECARBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O/c1-21(33)32(19-23-5-4-7-26(29)17-23)20-25-6-2-3-8-28(25)24-13-15-31(16-14-24)18-22-9-11-27(30)12-10-22/h2-12,17,24H,13-16,18-20H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
N-[(3-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-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 23108573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).