(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C14H17ClFNO2 — CID 86781661

IUPAC(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)(O)C1CCCN1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c1-14(2,19)12-4-3-7-17(12)13(18)9-5-6-11(16)10(15)8-9/h5-6,8,12,19H,3-4,7H2,1-2H3
InChIKeyRWGCTEUPOAJXLW-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.85
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 86781661) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID86781661
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)(O)C1CCCN1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c1-14(2,19)12-4-3-7-17(12)13(18)9-5-6-11(16)10(15)8-9/h5-6,8,12,19H,3-4,7H2,1-2H3
InChIKeyRWGCTEUPOAJXLW-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 86781661) is (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is CC(C)(O)C1CCCN1C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RWGCTEUPOAJXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-14(2,19)12-4-3-7-17(12)13(18)9-5-6-11(16)10(15)8-9/h5-6,8,12,19H,3-4,7H2,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 285.75 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).