2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C22H26ClFN2O2 — CID 4880420

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C22H26ClFN2O2/c1-28-17-10-8-16(9-11-17)21(26-12-3-2-4-13-26)15-25-22(27)14-18-19(23)6-5-7-20(18)24/h5-11,21H,2-4,12-15H2,1H3,(H,25,27)
InChIKeyWBDJKAQKMQQPLB-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.37
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 4880420) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID4880420
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C22H26ClFN2O2/c1-28-17-10-8-16(9-11-17)21(26-12-3-2-4-13-26)15-25-22(27)14-18-19(23)6-5-7-20(18)24/h5-11,21H,2-4,12-15H2,1H3,(H,25,27)
InChIKeyWBDJKAQKMQQPLB-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
(4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
CID 44443035
Cambridge id 7035693
CID 1075488
2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 2933867
N-(1-Benzyl-4-piperidinyl)-2-(4-methoxyphenyl)acetamide
CID 3296345
2-(4-Chloro-phenyl)-N-[2-(4-cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994241
N-cyclohexyl-4-[(2,4-dichlorophenyl)(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 44177151
6-(2-Chloro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082665
2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide
CID 71462668
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 141740061
2,3-dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 73672102
(4S)-4-[[(2S)-2-[[(2S)-3-(3-Chlorophenyl)-2-[[2-(3-chlorophenyl)-2,2-difluoroacetyl]amino]propanoyl]amino]-2-(4-methoxyphenyl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 137364784

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 4880420) is 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is WBDJKAQKMQQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O2/c1-28-17-10-8-16(9-11-17)21(26-12-3-2-4-13-26)15-25-22(27)14-18-19(23)6-5-7-20(18)24/h5-11,21H,2-4,12-15H2,1H3,(H,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 404.91 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 4880420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).