1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H21FN2O3 — CID 110022001

IUPAC1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NC(C)(C)CO)CC2=O)ccc1F
InChIInChI=1S/C16H21FN2O3/c1-10-6-12(4-5-13(10)17)19-8-11(7-14(19)21)15(22)18-16(2,3)9-20/h4-6,11,20H,7-9H2,1-3H3,(H,18,22)
InChIKeyGSSKFTLJLMDYJA-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.37
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110022001) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110022001
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NC(C)(C)CO)CC2=O)ccc1F
InChIInChI=1S/C16H21FN2O3/c1-10-6-12(4-5-13(10)17)19-8-11(7-14(19)21)15(22)18-16(2,3)9-20/h4-6,11,20H,7-9H2,1-3H3,(H,18,22)
InChIKeyGSSKFTLJLMDYJA-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
CID 120531702
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110021472
1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021375
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86785456
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 110022001) is 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NC(C)(C)CO)CC2=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GSSKFTLJLMDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10-6-12(4-5-13(10)17)19-8-11(7-14(19)21)15(22)18-16(2,3)9-20/h4-6,11,20H,7-9H2,1-3H3,(H,18,22).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110022001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).