2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide

C21H24F2N2O — CID 118762611

IUPAC2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O/c22-19-8-4-7-18(21(19)23)15-20(26)24-11-14-25-12-9-17(10-13-25)16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26)
InChIKeyMDRYUVCDBVEASG-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.50
Rot. Bonds6

About 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide

2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide (PubChem CID 118762611) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
PubChem CID118762611
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O/c22-19-8-4-7-18(21(19)23)15-20(26)24-11-14-25-12-9-17(10-13-25)16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26)
InChIKeyMDRYUVCDBVEASG-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 91832085
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 74248989
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 126443325
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 74250613
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide (CID 118762611) is 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide is O=C(Cc1cccc(F)c1F)NCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is MDRYUVCDBVEASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c22-19-8-4-7-18(21(19)23)15-20(26)24-11-14-25-12-9-17(10-13-25)16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26).
What are the key properties of 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 358.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 118762611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).