1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide

C15H21FN2O2 — CID 111564989

IUPAC1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(16)5-6-12(10)14(19)9-18-7-3-4-13(18)15(20)17-2/h5-6,8,13-14,19H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyXKPVAPQVMPNNLH-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide

1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 111564989) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID111564989
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(16)5-6-12(10)14(19)9-18-7-3-4-13(18)15(20)17-2/h5-6,8,13-14,19H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyXKPVAPQVMPNNLH-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 110903395
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 95626421
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-propan-2-ylpiperazin-2-one
CID 111565059
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-N-methylpyrrolidine-2-carboxamide
CID 86831664
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
2-(3-ethylmorpholin-4-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide (CID 111564989) is 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1CC(O)c1ccc(F)cc1C.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XKPVAPQVMPNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-11(16)5-6-12(10)14(19)9-18-7-3-4-13(18)15(20)17-2/h5-6,8,13-14,19H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 111564989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).