2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H18F2N2O — CID 62050086

IUPAC2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(F)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(14(19)18-6-2-3-7-18)17-9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyPUSZBKNWLASCIA-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.07
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62050086) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62050086
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(F)cc1F)C(=O)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(14(19)18-6-2-3-7-18)17-9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyPUSZBKNWLASCIA-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 115615985
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
2-[(2-fluoro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103757269
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 62050086) is 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(NCc1ccc(F)cc1F)C(=O)N1CCCC1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PUSZBKNWLASCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(14(19)18-6-2-3-7-18)17-9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 268.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62050086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).