2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C15H21FN2O — CID 47326397

IUPAC2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-11(2)10-17-15(19)18-8-4-7-14(18)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIJFSEBQLWJFTPZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 47326397) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID47326397
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-11(2)10-17-15(19)18-8-4-7-14(18)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyIJFSEBQLWJFTPZ-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 47326397) is 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is IJFSEBQLWJFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)10-17-15(19)18-8-4-7-14(18)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47326397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).