4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride

C14H20ClFN2O — CID 126622634

IUPAC4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1ccccc1)C1CC(F)CN1
InChIInChI=1S/C14H19FN2O.ClH/c15-12-9-13(17-10-12)14(18)16-8-4-7-11-5-2-1-3-6-11;/h1-3,5-6,12-13,17H,4,7-10H2,(H,16,18);1H
InChIKeyYKQHWCBXPJRIRC-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.86
Rot. Bonds5

About 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride

4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126622634) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID126622634
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1ccccc1)C1CC(F)CN1
InChIInChI=1S/C14H19FN2O.ClH/c15-12-9-13(17-10-12)14(18)16-8-4-7-11-5-2-1-3-6-11;/h1-3,5-6,12-13,17H,4,7-10H2,(H,16,18);1H
InChIKeyYKQHWCBXPJRIRC-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-5-(4-phenylbutylcarbamoyl)pyrrolidine-3-sulfonic acid
CID 162205045
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 97347627
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
(2R,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 154800968
4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119763509
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride (CID 126622634) is 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCc1ccccc1)C1CC(F)CN1.
What is the InChIKey of 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YKQHWCBXPJRIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c15-12-9-13(17-10-12)14(18)16-8-4-7-11-5-2-1-3-6-11;/h1-3,5-6,12-13,17H,4,7-10H2,(H,16,18);1H.
What are the key properties of 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126622634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).