(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C15H19BrN2O2 — CID 62274407

IUPAC(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCCC1C1CCCN1
InChIInChI=1S/C15H19BrN2O2/c16-10-5-6-11(14(19)9-10)15(20)18-8-2-4-13(18)12-3-1-7-17-12/h5-6,9,12-13,17,19H,1-4,7-8H2
InChIKeyIBFQLDZIVBGDAT-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.51
Rot. Bonds2

About (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62274407) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62274407
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCCC1C1CCCN1
InChIInChI=1S/C15H19BrN2O2/c16-10-5-6-11(14(19)9-10)15(20)18-8-2-4-13(18)12-3-1-7-17-12/h5-6,9,12-13,17,19H,1-4,7-8H2
InChIKeyIBFQLDZIVBGDAT-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273196
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256413
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256766
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62274407) is (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Br)cc1O)N1CCCC1C1CCCN1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is IBFQLDZIVBGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-10-5-6-11(14(19)9-10)15(20)18-8-2-4-13(18)12-3-1-7-17-12/h5-6,9,12-13,17,19H,1-4,7-8H2.
What are the key properties of (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 339.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62274407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).