N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H21FN2O3 — CID 71867519

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-21-14(11-4-6-12(16)7-5-11)9-17-15(20)18-8-2-3-13(18)10-19/h4-7,13-14,19H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyVWBWKYUNUSRLQA-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71867519) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID71867519
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-21-14(11-4-6-12(16)7-5-11)9-17-15(20)18-8-2-3-13(18)10-19/h4-7,13-14,19H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyVWBWKYUNUSRLQA-UHFFFAOYSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428233
(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607681
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 71867519) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is COC(CNC(=O)N1CCCC1CO)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is VWBWKYUNUSRLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-21-14(11-4-6-12(16)7-5-11)9-17-15(20)18-8-2-3-13(18)10-19/h4-7,13-14,19H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71867519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).