2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide

C14H15FN2O3 — CID 127043032

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20)
InChIKeyHVECGCNLCMHFGC-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide (PubChem CID 127043032) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide
PubChem CID127043032
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20)
InChIKeyHVECGCNLCMHFGC-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.69
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

(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 28622922
(2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-fluorophenyl)butanamide
CID 27245658
(2R)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(4-methoxyphenyl)butanamide
CID 93056364
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
(2R)-N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056412
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
(2R)-N-(3,5-dimethylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]butanamide
CID 93056448
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(4-fluorophenyl)butanamide
CID 95064912
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide (CID 127043032) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide is CCC(C(=O)Nc1ccc(F)cc1)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide?
The InChIKey is HVECGCNLCMHFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-11(17-12(18)7-8-13(17)19)14(20)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide has a molecular weight of 278.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 127043032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).