N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H23FN2O2 — CID 111428233

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(21)19-9-3-4-14(19)10-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyBEAFEPNRIXXQFO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428233) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428233
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(21)19-9-3-4-14(19)10-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyBEAFEPNRIXXQFO-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
N-(2,2-dimethyl-3-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428373
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867519
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428233) is N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(C)(CNC(=O)N1CCCC1CO)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is BEAFEPNRIXXQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,12-5-7-13(17)8-6-12)11-18-15(21)19-9-3-4-14(19)10-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).