[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid

C14H15FN2O4 — CID 87424149

IUPAC[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(C(=O)c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H15FN2O4/c15-10-5-3-9(4-6-10)12(18)11(16-14(20)21)13(19)17-7-1-2-8-17/h3-6,11,16H,1-2,7-8H2,(H,20,21)
InChIKeyWUBICCVQWBKROU-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.27
Rot. Bonds4

About [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid

[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid (PubChem CID 87424149) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
PubChem CID87424149
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(C(=O)c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H15FN2O4/c15-10-5-3-9(4-6-10)12(18)11(16-14(20)21)13(19)17-7-1-2-8-17/h3-6,11,16H,1-2,7-8H2,(H,20,21)
InChIKeyWUBICCVQWBKROU-UHFFFAOYSA-N
XLogP1.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 87029912
1-(azepan-1-yl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 3970669
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 7317693
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93196747
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
(2R)-2-(chloroamino)-3-(4-fluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 89160432
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid (CID 87424149) is [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid is O=C(O)NC(C(=O)c1ccc(F)cc1)C(=O)N1CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The InChIKey is WUBICCVQWBKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-5-3-9(4-6-10)12(18)11(16-14(20)21)13(19)17-7-1-2-8-17/h3-6,11,16H,1-2,7-8H2,(H,20,21).
What are the key properties of [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
[1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid has a molecular weight of 294.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1,3-dioxo-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid is sourced from PubChem (CID 87424149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).