1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide

C17H23FN2O2 — CID 110246572

IUPAC1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(C)(C)c2ccccc2F)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeyQGVZTHOQAZWFRM-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.09
Rot. Bonds4

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

1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide (PubChem CID 110246572) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
PubChem CID110246572
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(C)(C)c2ccccc2F)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeyQGVZTHOQAZWFRM-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-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

(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52507745
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
ethyl 1-[N-[2-(2-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156859
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
N-[2-(2-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119313402

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide (CID 110246572) is 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)NCC(C)(C)c2ccccc2F)C1.
What is the InChIKey of 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The InChIKey is QGVZTHOQAZWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).