4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide

C14H17FN2O2 — CID 154679199

IUPAC4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)(F)c1ccc(C2CNC(=O)C2C(N)=O)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(2,15)9-5-3-8(4-6-9)10-7-17-13(19)11(10)12(16)18/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyVDDVDJMNJCXQEH-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.21
Rot. Bonds3

About 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide

4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 154679199) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID154679199
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)(F)c1ccc(C2CNC(=O)C2C(N)=O)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(2,15)9-5-3-8(4-6-9)10-7-17-13(19)11(10)12(16)18/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyVDDVDJMNJCXQEH-UHFFFAOYSA-N
XLogP1.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-(4-tert-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 129452513
4-(4-methylsulfanylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643720
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
CID 141255561
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
ethane;(3S,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-2-oxopyrrolidine-3-carboxamide
CID 154673401
4-(1,3-benzodioxol-5-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 110282089
ethyl (4S)-4-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxylate
CID 139293918

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide (CID 154679199) is 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide is CC(C)(F)c1ccc(C2CNC(=O)C2C(N)=O)cc1.
What is the InChIKey of 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is VDDVDJMNJCXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(2,15)9-5-3-8(4-6-9)10-7-17-13(19)11(10)12(16)18/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoropropan-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154679199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).