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

C14H19FN2O — CID 110478479

IUPACN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c1-10(2)14(18)16-12-6-7-17(9-12)13-5-3-4-11(15)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYTIDOWLFIVMOCI-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.18
Rot. Bonds3

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

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 110478479) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID110478479
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c1-10(2)14(18)16-12-6-7-17(9-12)13-5-3-4-11(15)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYTIDOWLFIVMOCI-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 154748763
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119884134
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 110478479) is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is YTIDOWLFIVMOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(2)14(18)16-12-6-7-17(9-12)13-5-3-4-11(15)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 110478479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).