N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide

C16H21FN2O2 — CID 71839103

IUPACN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-16(2,3)10-14(20)18-13-8-9-19(15(13)21)12-6-4-11(17)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,18,20)
InChIKeyQJJIADJIWAJANL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide

N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 71839103) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
PubChem CID71839103
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-16(2,3)10-14(20)18-13-8-9-19(15(13)21)12-6-4-11(17)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,18,20)
InChIKeyQJJIADJIWAJANL-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(4-iodophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 70340142
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 53166681
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
2,2-dimethyl-4-oxo-4-[(2-oxo-1-phenylpiperidin-3-yl)amino]butanoic acid
CID 119133851
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide (CID 71839103) is N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is QJJIADJIWAJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(2,3)10-14(20)18-13-8-9-19(15(13)21)12-6-4-11(17)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide?
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 292.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 71839103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).