1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide

C19H19BrN2O3 — CID 112834405

IUPAC1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C19H19BrN2O3/c20-15-8-4-5-9-16(15)22-11-10-14(19(22)25)18(24)21-12-17(23)13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,21,24)
InChIKeySBIDYETUEDJNNL-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 112834405) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID112834405
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C19H19BrN2O3/c20-15-8-4-5-9-16(15)22-11-10-14(19(22)25)18(24)21-12-17(23)13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,21,24)
InChIKeySBIDYETUEDJNNL-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide (CID 112834405) is 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCC(O)c1ccccc1)C1CCN(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SBIDYETUEDJNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-8-4-5-9-16(15)22-11-10-14(19(22)25)18(24)21-12-17(23)13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,21,24).
What are the key properties of 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112834405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).