(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H14ClFN2O2 — CID 128988382

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H14ClFN2O2/c1-14-4-7(12)2-10(14)11(17)15-5-8(13)3-9(15)6-16/h2,4,8-9,16H,3,5-6H2,1H3/t8-,9-/m0/s1
InChIKeyQHUDDBRJBAAONR-IUCAKERBSA-N
MW260.70 g/mol
LogP1.22
Rot. Bonds2

About (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 128988382) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID128988382
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H14ClFN2O2/c1-14-4-7(12)2-10(14)11(17)15-5-8(13)3-9(15)6-16/h2,4,8-9,16H,3,5-6H2,1H3/t8-,9-/m0/s1
InChIKeyQHUDDBRJBAAONR-IUCAKERBSA-N
XLogP1.22
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propan-2-ylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988353
(2S,4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741605
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422200
[4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone
CID 128523490
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 112622341
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128988349
2-(4-chloro-2-methylphenoxy)-1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 128988607
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 128988217
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119487002
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128988324
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128988399
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705569

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 128988382) is (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cn1cc(Cl)cc1C(=O)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QHUDDBRJBAAONR-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-14-4-7(12)2-10(14)11(17)15-5-8(13)3-9(15)6-16/h2,4,8-9,16H,3,5-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 260.70 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128988382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).