1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

C22H22BrN3O3 — CID 46596513

IUPAC1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C22H22BrN3O3/c23-17-5-2-7-19(12-17)26-14-16(11-21(26)28)22(29)24-18-6-1-4-15(10-18)13-25-9-3-8-20(25)27/h1-2,4-7,10,12,16H,3,8-9,11,13-14H2,(H,24,29)
InChIKeyCPXKZTYJUOJHGR-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 46596513) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID46596513
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC Name1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2=O)c1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C22H22BrN3O3/c23-17-5-2-7-19(12-17)26-14-16(11-21(26)28)22(29)24-18-6-1-4-15(10-18)13-25-9-3-8-20(25)27/h1-2,4-7,10,12,16H,3,8-9,11,13-14H2,(H,24,29)
InChIKeyCPXKZTYJUOJHGR-UHFFFAOYSA-N
XLogP3.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46491839
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
(3R)-1-(3-acetamidophenyl)-N-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727158
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903087
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
1-(3-bromophenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586995

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (CID 46596513) is 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(CN2CCCC2=O)c1)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CPXKZTYJUOJHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3/c23-17-5-2-7-19(12-17)26-14-16(11-21(26)28)22(29)24-18-6-1-4-15(10-18)13-25-9-3-8-20(25)27/h1-2,4-7,10,12,16H,3,8-9,11,13-14H2,(H,24,29).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46596513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).