N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C19H27FN2O — CID 131912090

IUPACN-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H27FN2O/c20-17-10-2-1-8-16(17)9-7-13-21-18(23)19(11-3-4-12-19)22-14-5-6-15-22/h1-2,8,10H,3-7,9,11-15H2,(H,21,23)
InChIKeyRYVDEUINBRGCMP-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.28
Rot. Bonds6

About N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 131912090) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID131912090
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC NameN-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1(N2CCCC2)CCCC1
InChIInChI=1S/C19H27FN2O/c20-17-10-2-1-8-16(17)9-7-13-21-18(23)19(11-3-4-12-19)22-14-5-6-15-22/h1-2,8,10H,3-7,9,11-15H2,(H,21,23)
InChIKeyRYVDEUINBRGCMP-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057927
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 119050357
N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131930916
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 90653038
1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
CID 72922541
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529529
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 131912090) is N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NCCCc1ccccc1F)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is RYVDEUINBRGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-17-10-2-1-8-16(17)9-7-13-21-18(23)19(11-3-4-12-19)22-14-5-6-15-22/h1-2,8,10H,3-7,9,11-15H2,(H,21,23).
What are the key properties of N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 131912090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).