2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide

C23H28F2N2O — CID 141092517

IUPAC2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
SMILESCc1ccccc1C1CCN(CCCNC(=O)C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C23H28F2N2O/c1-18-8-5-6-11-21(18)19-12-16-27(17-13-19)15-7-14-26-22(28)23(24,25)20-9-3-2-4-10-20/h2-6,8-11,19H,7,12-17H2,1H3,(H,26,28)
InChIKeyBMHUXEVCTRNEQK-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.47
Rot. Bonds7

About 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide

2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide (PubChem CID 141092517) has the molecular formula C23H28F2N2O and a molecular weight of 386.49 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
PubChem CID141092517
Molecular FormulaC23H28F2N2O
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
SMILESCc1ccccc1C1CCN(CCCNC(=O)C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C23H28F2N2O/c1-18-8-5-6-11-21(18)19-12-16-27(17-13-19)15-7-14-26-22(28)23(24,25)20-9-3-2-4-10-20/h2-6,8-11,19H,7,12-17H2,1H3,(H,26,28)
InChIKeyBMHUXEVCTRNEQK-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109476397
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
tert-butyl N-[3-[4-(2-cyanophenyl)piperidin-1-yl]propyl]carbamate;2-(1-butylpiperidin-4-yl)benzonitrile;hydrochloride
CID 157151362
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
2-(3,4-difluorophenyl)-2-(2-oxopyrrolidin-1-yl)-N-[3-(4-phenylpiperidin-1-yl)propyl]propanamide
CID 91493148
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide (CID 141092517) is 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide is Cc1ccccc1C1CCN(CCCNC(=O)C(F)(F)c2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide?
The InChIKey is BMHUXEVCTRNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O/c1-18-8-5-6-11-21(18)19-12-16-27(17-13-19)15-7-14-26-22(28)23(24,25)20-9-3-2-4-10-20/h2-6,8-11,19H,7,12-17H2,1H3,(H,26,28).
What are the key properties of 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide?
2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide has a molecular weight of 386.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 141092517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).