N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide

C13H17FN2O3 — CID 126825591

IUPACN-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(CO)CC(O)CN1C(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(8-17)6-9(18)7-16(13)12(19)15-11-5-3-2-4-10(11)14/h2-5,9,17-18H,6-8H2,1H3,(H,15,19)
InChIKeyCQVBBIVWSZRUGR-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.18
Rot. Bonds2

About N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide

N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 126825591) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID126825591
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(CO)CC(O)CN1C(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-13(8-17)6-9(18)7-16(13)12(19)15-11-5-3-2-4-10(11)14/h2-5,9,17-18H,6-8H2,1H3,(H,15,19)
InChIKeyCQVBBIVWSZRUGR-UHFFFAOYSA-N
XLogP1.18
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
(3S,4S)-1-[(2-fluorophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073608

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide (CID 126825591) is N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide is CC1(CO)CC(O)CN1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is CQVBBIVWSZRUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(8-17)6-9(18)7-16(13)12(19)15-11-5-3-2-4-10(11)14/h2-5,9,17-18H,6-8H2,1H3,(H,15,19).
What are the key properties of N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126825591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).