1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone

C16H21BrN2O2 — CID 63170584

IUPAC1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCOCC2)C1)c1ccccc1Br
InChIInChI=1S/C16H21BrN2O2/c17-15-4-2-1-3-14(15)16(20)12-18-6-5-13(11-18)19-7-9-21-10-8-19/h1-4,13H,5-12H2
InChIKeyFCOMIESVKFZJAL-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone

1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 63170584) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID63170584
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCOCC2)C1)c1ccccc1Br
InChIInChI=1S/C16H21BrN2O2/c17-15-4-2-1-3-14(15)16(20)12-18-6-5-13(11-18)19-7-9-21-10-8-19/h1-4,13H,5-12H2
InChIKeyFCOMIESVKFZJAL-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone 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 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone (CID 63170584) is 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCC(N2CCOCC2)C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is FCOMIESVKFZJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c17-15-4-2-1-3-14(15)16(20)12-18-6-5-13(11-18)19-7-9-21-10-8-19/h1-4,13H,5-12H2.
What are the key properties of 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 353.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63170584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).