4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide

C13H17FN2O — CID 114834626

IUPAC4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1(Cc2ccccc2F)CNCC1C(N)=O
InChIInChI=1S/C13H17FN2O/c1-13(8-16-7-10(13)12(15)17)6-9-4-2-3-5-11(9)14/h2-5,10,16H,6-8H2,1H3,(H2,15,17)
InChIKeyDMSUTNIJKCXMRT-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.08
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide

4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114834626) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114834626
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1(Cc2ccccc2F)CNCC1C(N)=O
InChIInChI=1S/C13H17FN2O/c1-13(8-16-7-10(13)12(15)17)6-9-4-2-3-5-11(9)14/h2-5,10,16H,6-8H2,1H3,(H2,15,17)
InChIKeyDMSUTNIJKCXMRT-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 114834626) is 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide is CC1(Cc2ccccc2F)CNCC1C(N)=O.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is DMSUTNIJKCXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(8-16-7-10(13)12(15)17)6-9-4-2-3-5-11(9)14/h2-5,10,16H,6-8H2,1H3,(H2,15,17).
What are the key properties of 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114834626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).