N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide

C17H22ClFN2O2 — CID 84592465

IUPACN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCN1CCC(CNC(=O)C2CCCO2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H22ClFN2O2/c1-21-7-6-12(10-20-17(22)15-3-2-8-23-15)16(21)11-4-5-13(18)14(19)9-11/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyWQHOGAYPOLSXLI-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.77
Rot. Bonds4

About N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide

N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide (PubChem CID 84592465) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide
PubChem CID84592465
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC NameN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCN1CCC(CNC(=O)C2CCCO2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H22ClFN2O2/c1-21-7-6-12(10-20-17(22)15-3-2-8-23-15)16(21)11-4-5-13(18)14(19)9-11/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyWQHOGAYPOLSXLI-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 2970803
N-(4-chlorobenzyl)tetrahydro-2-furancarboxamide
CID 2932408
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-2-carboxamide
CID 76072670
(S)-N-((R or S)-(4-chlorophenyl)((R or S)-3,3-difluorocyclopentyl) methyl)-2-oxooxazolidine-5-carboxamide
CID 162520676
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)((R or S)-1-(2,2,2-trifluoroethyl) pyrrolidin-3-yl) methyl)-2-oxooxazolidine-5-carboxamide
CID 178289861
N-[(4-chlorophenyl)methyl]-2-[(3S,5E,8S)-8-methyl-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
CID 163661714
2-(4-chloro-3-fluorophenyl)-5-oxo-1-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 75445522
[2-(4-Chlorophenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119721636
(2S,3R)-N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 121535894
N-[[8-[(2-chloro-6-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 126463260
(3S,4R)-1-tert-butyl-N-[(4S)-4-(4-chlorophenyl)-4-[(2-methoxyacetyl)amino]butyl]-4-(2,4-difluorophenyl)pyrrolidine-3-carboxamide
CID 68317384
(S)-N-{2-(Aminomethyl)-5-chlorobenzyl}-1-{(R)-tetrahydrofuran-2-carbonyl}pyrrolidine-2-carboxamide 2,2,2-trifluoroacetate
CID 131744238

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide (CID 84592465) is N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide is CN1CCC(CNC(=O)C2CCCO2)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The InChIKey is WQHOGAYPOLSXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-21-7-6-12(10-20-17(22)15-3-2-8-23-15)16(21)11-4-5-13(18)14(19)9-11/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3,(H,20,22).
What are the key properties of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 84592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).