N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H20BrN3O3 — CID 17153911

IUPACN-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C24H20BrN3O3/c25-20-8-4-5-9-21(20)27-23(30)16-10-12-18(13-11-16)26-24(31)17-14-22(29)28(15-17)19-6-2-1-3-7-19/h1-13,17H,14-15H2,(H,26,31)(H,27,30)
InChIKeyWSLXFUKBHZPYSC-UHFFFAOYSA-N
MW478.35 g/mol
LogP4.69
Rot. Bonds5

About N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153911) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153911
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC NameN-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C24H20BrN3O3/c25-20-8-4-5-9-21(20)27-23(30)16-10-12-18(13-11-16)26-24(31)17-14-22(29)28(15-17)19-6-2-1-3-7-19/h1-13,17H,14-15H2,(H,26,31)(H,27,30)
InChIKeyWSLXFUKBHZPYSC-UHFFFAOYSA-N
XLogP4.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153892
N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17154007
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
5-oxo-N-[4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 17154021
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153972

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153911) is N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1Br)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WSLXFUKBHZPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c25-20-8-4-5-9-21(20)27-23(30)16-10-12-18(13-11-16)26-24(31)17-14-22(29)28(15-17)19-6-2-1-3-7-19/h1-13,17H,14-15H2,(H,26,31)(H,27,30).
What are the key properties of N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 478.35 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).