N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H15BrN2O2 — CID 2902416

IUPACN-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)
InChIKeyXZNCKIBUPHQSLE-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.44
Rot. Bonds3

About N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2902416) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2902416
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)
InChIKeyXZNCKIBUPHQSLE-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2902416) is N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is XZNCKIBUPHQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22).
What are the key properties of N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2902416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).