3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

C19H20BrNO2 — CID 2943132

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2
InChIKeyFJHUVPLPPMJCMH-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.30
Rot. Bonds4

About 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 2943132) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID2943132
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCC1
InChIInChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2
InChIKeyFJHUVPLPPMJCMH-UHFFFAOYSA-N
XLogP4.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one (CID 2943132) is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCC1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FJHUVPLPPMJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-15-8-9-18(22)17(12-15)16(14-6-2-1-3-7-14)13-19(23)21-10-4-5-11-21/h1-3,6-9,12,16,22H,4-5,10-11,13H2.
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one?
3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 374.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2943132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).