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

C27H28ClFN2O — CID 23108836

IUPACN-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C27H28ClFN2O/c1-20(32)31(27-9-5-4-8-26(27)28)19-23-6-2-3-7-25(23)22-14-16-30(17-15-22)18-21-10-12-24(29)13-11-21/h2-13,22H,14-19H2,1H3
InChIKeyNTHQCVPCXFWCCS-UHFFFAOYSA-N
MW450.99 g/mol
LogP6.41
Rot. Bonds6

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

N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 23108836) has the molecular formula C27H28ClFN2O and a molecular weight of 450.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
PubChem CID23108836
Molecular FormulaC27H28ClFN2O
Molecular Weight450.99 g/mol
Exact Mass450.19
IUPAC NameN-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C27H28ClFN2O/c1-20(32)31(27-9-5-4-8-26(27)28)19-23-6-2-3-7-25(23)22-14-16-30(17-15-22)18-21-10-12-24(29)13-11-21/h2-13,22H,14-19H2,1H3
InChIKeyNTHQCVPCXFWCCS-UHFFFAOYSA-N
XLogP6.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(2-methoxyphenyl)acetamide
CID 23108892
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylcarbamate
CID 57430058
methyl N-cyclohexyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57499793
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 23108898
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
3-ethyl-1-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-1-(3-methoxyphenyl)urea
CID 23108642
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 23108743
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
methyl N-benzyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylphenyl]methyl]carbamate
CID 69494799

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 23108836) is N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is CC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
The InChIKey is NTHQCVPCXFWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O/c1-20(32)31(27-9-5-4-8-26(27)28)19-23-6-2-3-7-25(23)22-14-16-30(17-15-22)18-21-10-12-24(29)13-11-21/h2-13,22H,14-19H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide?
N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide has a molecular weight of 450.99 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 23108836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).