3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

C17H24F2N2O — CID 51096124

IUPAC3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O/c1-12(2)21-8-7-13(11-21)10-20-17(22)6-3-14-9-15(18)4-5-16(14)19/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMCRSBTAXOCJVQS-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.74
Rot. Bonds6

About 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 51096124) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID51096124
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C17H24F2N2O/c1-12(2)21-8-7-13(11-21)10-20-17(22)6-3-14-9-15(18)4-5-16(14)19/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMCRSBTAXOCJVQS-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 51096124) is 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is CC(C)N1CCC(CNC(=O)CCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is MCRSBTAXOCJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-12(2)21-8-7-13(11-21)10-20-17(22)6-3-14-9-15(18)4-5-16(14)19/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 310.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 51096124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).