N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H14F2N2O2 — CID 78982251

IUPACN-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-7(10-3-2-9(14)5-11(10)15)17-13(19)8-4-12(18)16-6-8/h2-3,5,7-8H,4,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyWVGOKRUICZSKLC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.28
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982251) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982251
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-7(10-3-2-9(14)5-11(10)15)17-13(19)8-4-12(18)16-6-8/h2-3,5,7-8H,4,6H2,1H3,(H,16,18)(H,17,19)
InChIKeyWVGOKRUICZSKLC-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
(2R,4S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 93266684
N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686288
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 78982251) is N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CNC(=O)C1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WVGOKRUICZSKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-7(10-3-2-9(14)5-11(10)15)17-13(19)8-4-12(18)16-6-8/h2-3,5,7-8H,4,6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).