3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

C14H13FN2O3 — CID 75295671

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h1-6H,7-9H2,(H,16,18)
InChIKeyWTPJNLBLXTVFBA-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.76
Rot. Bonds5

About 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 75295671) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID75295671
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h1-6H,7-9H2,(H,16,18)
InChIKeyWTPJNLBLXTVFBA-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.76
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

N-[(4-aminophenyl)methyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 118577605
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 30433144
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 75295671) is 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is WTPJNLBLXTVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h1-6H,7-9H2,(H,16,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 276.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 75295671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).