2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide

C14H20FN3O — CID 110480014

IUPAC2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H20FN3O/c1-14(2,16)13(19)17-11-6-7-18(9-11)12-5-3-4-10(15)8-12/h3-5,8,11H,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyZIJPLRLJIXAISF-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide

2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 110480014) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID110480014
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H20FN3O/c1-14(2,16)13(19)17-11-6-7-18(9-11)12-5-3-4-10(15)8-12/h3-5,8,11H,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyZIJPLRLJIXAISF-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 110480014) is 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is ZIJPLRLJIXAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-14(2,16)13(19)17-11-6-7-18(9-11)12-5-3-4-10(15)8-12/h3-5,8,11H,6-7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 265.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 110480014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).