1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C16H21FN2O2 — CID 46705251

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)8-18-16(21)13-7-15(20)19(10-13)9-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyNBZCMMWYDIKGLA-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.95
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46705251) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46705251
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)8-18-16(21)13-7-15(20)19(10-13)9-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyNBZCMMWYDIKGLA-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 46705251) is 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NBZCMMWYDIKGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)8-18-16(21)13-7-15(20)19(10-13)9-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46705251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).