N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C13H12F2N2O3 — CID 9210364

IUPACN-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O3/c14-9-2-1-8(7-10(9)15)16-11(18)5-6-17-12(19)3-4-13(17)20/h1-2,7H,3-6H2,(H,16,18)
InChIKeyDHQPWOHEIXTRHW-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.44
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 9210364) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID9210364
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC NameN-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O3/c14-9-2-1-8(7-10(9)15)16-11(18)5-6-17-12(19)3-4-13(17)20/h1-2,7H,3-6H2,(H,16,18)
InChIKeyDHQPWOHEIXTRHW-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
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CID 64793189
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
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3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
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N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 9210364) is N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is DHQPWOHEIXTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-9-2-1-8(7-10(9)15)16-11(18)5-6-17-12(19)3-4-13(17)20/h1-2,7H,3-6H2,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 282.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 9210364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).