N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

C28H30F2N2O3 — CID 45248554

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C28H30F2N2O3/c1-31(27(34)18-6-7-18)25(14-19-8-9-20(29)15-24(19)30)17-10-12-32(13-11-17)28(35)23-16-26(33)22-5-3-2-4-21(22)23/h2-5,8-9,15,17-18,23,25H,6-7,10-14,16H2,1H3
InChIKeyMVRAZQAAYNJMLS-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 45248554) has the molecular formula C28H30F2N2O3 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
PubChem CID45248554
Molecular FormulaC28H30F2N2O3
Molecular Weight480.56 g/mol
Exact Mass480.22
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C28H30F2N2O3/c1-31(27(34)18-6-7-18)25(14-19-8-9-20(29)15-24(19)30)17-10-12-32(13-11-17)28(35)23-16-26(33)22-5-3-2-4-21(22)23/h2-5,8-9,15,17-18,23,25H,6-7,10-14,16H2,1H3
InChIKeyMVRAZQAAYNJMLS-UHFFFAOYSA-N
XLogP4.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (CID 45248554) is N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C(Cc1ccc(F)cc1F)C1CCN(C(=O)C2CC(=O)c3ccccc32)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is MVRAZQAAYNJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O3/c1-31(27(34)18-6-7-18)25(14-19-8-9-20(29)15-24(19)30)17-10-12-32(13-11-17)28(35)23-16-26(33)22-5-3-2-4-21(22)23/h2-5,8-9,15,17-18,23,25H,6-7,10-14,16H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(3-oxo-1,2-dihydroindene-1-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 45248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).