1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide

C17H21FN2O3 — CID 110021472

IUPAC1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCC3(CO)CC3)CC2=O)ccc1F
InChIInChI=1S/C17H21FN2O3/c1-11-6-13(2-3-14(11)18)20-8-12(7-15(20)22)16(23)19-9-17(10-21)4-5-17/h2-3,6,12,21H,4-5,7-10H2,1H3,(H,19,23)
InChIKeyLUFQNPZTDDMQIV-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.38
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 110021472) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID110021472
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCC3(CO)CC3)CC2=O)ccc1F
InChIInChI=1S/C17H21FN2O3/c1-11-6-13(2-3-14(11)18)20-8-12(7-15(20)22)16(23)19-9-17(10-21)4-5-17/h2-3,6,12,21H,4-5,7-10H2,1H3,(H,19,23)
InChIKeyLUFQNPZTDDMQIV-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 110022001
1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021375
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
CID 120531702
1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86785456
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 110021472) is 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NCC3(CO)CC3)CC2=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LUFQNPZTDDMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-6-13(2-3-14(11)18)20-8-12(7-15(20)22)16(23)19-9-17(10-21)4-5-17/h2-3,6,12,21H,4-5,7-10H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.38, 5 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-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110021472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).