1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C16H21FN2O2 — CID 46705214

IUPAC1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)18(3)16(21)13-8-15(20)19(10-13)9-12-4-6-14(17)7-5-12/h4-7,11,13H,8-10H2,1-3H3
InChIKeySJWOGAJVANFGTD-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.04
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 46705214) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID46705214
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-11(2)18(3)16(21)13-8-15(20)19(10-13)9-12-4-6-14(17)7-5-12/h4-7,11,13H,8-10H2,1-3H3
InChIKeySJWOGAJVANFGTD-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 46705214) is 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(C)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SJWOGAJVANFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)18(3)16(21)13-8-15(20)19(10-13)9-12-4-6-14(17)7-5-12/h4-7,11,13H,8-10H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46705214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).