1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H19FN2O2 — CID 143816480

IUPAC1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CCC1C(=O)NCc1cccc(C)c1F
InChIInChI=1S/C15H19FN2O2/c1-3-18-12(7-8-13(18)19)15(20)17-9-11-6-4-5-10(2)14(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyQPMJEXGJQKLYKJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.76
Rot. Bonds4

About 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 143816480) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID143816480
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CCC1C(=O)NCc1cccc(C)c1F
InChIInChI=1S/C15H19FN2O2/c1-3-18-12(7-8-13(18)19)15(20)17-9-11-6-4-5-10(2)14(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyQPMJEXGJQKLYKJ-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 143816480) is 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CCC1C(=O)NCc1cccc(C)c1F.
What is the InChIKey of 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QPMJEXGJQKLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-18-12(7-8-13(18)19)15(20)17-9-11-6-4-5-10(2)14(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 143816480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).