(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

C19H18BrNO3 — CID 2952430

IUPAC(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)OCc1cccc(Br)c1
InChIInChI=1S/C19H18BrNO3/c20-17-8-4-5-14(9-17)13-24-19(23)12-21-11-16(10-18(21)22)15-6-2-1-3-7-15/h1-9,16H,10-13H2
InChIKeyDDCGNQAMWXXBHP-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.51
Rot. Bonds5

About (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (PubChem CID 2952430) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
PubChem CID2952430
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)OCc1cccc(Br)c1
InChIInChI=1S/C19H18BrNO3/c20-17-8-4-5-14(9-17)13-24-19(23)12-21-11-16(10-18(21)22)15-6-2-1-3-7-15/h1-9,16H,10-13H2
InChIKeyDDCGNQAMWXXBHP-UHFFFAOYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The IUPAC name of (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (CID 2952430) is (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.
What is the SMILES notation for (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The canonical SMILES for (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is O=C(CN1CC(c2ccccc2)CC1=O)OCc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The InChIKey is DDCGNQAMWXXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-17-8-4-5-14(9-17)13-24-19(23)12-21-11-16(10-18(21)22)15-6-2-1-3-7-15/h1-9,16H,10-13H2.
What are the key properties of (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
(3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate has a molecular weight of 388.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 2952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).