N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide

C14H19FN2O — CID 110852538

IUPACN-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyQSFWEBBEQPTBRZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 110852538) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID110852538
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyQSFWEBBEQPTBRZ-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113004684
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide (CID 110852538) is N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is QSFWEBBEQPTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110852538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).