1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

C17H17BrN2O3 — CID 42863375

IUPAC1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H17BrN2O3/c1-19(11-14-3-2-10-23-14)16(21)15-8-9-20(17(15)22)13-6-4-12(18)5-7-13/h2-7,10,15H,8-9,11H2,1H3
InChIKeyYRHGRRBIEKVBCE-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 42863375) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID42863375
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H17BrN2O3/c1-19(11-14-3-2-10-23-14)16(21)15-8-9-20(17(15)22)13-6-4-12(18)5-7-13/h2-7,10,15H,8-9,11H2,1H3
InChIKeyYRHGRRBIEKVBCE-UHFFFAOYSA-N
XLogP3.05
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-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

2-methyl-5-[[methyl-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150129
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1109163
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 70766601
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
CID 124592979

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (CID 42863375) is 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is CN(Cc1ccco1)C(=O)C1CCN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is YRHGRRBIEKVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-19(11-14-3-2-10-23-14)16(21)15-8-9-20(17(15)22)13-6-4-12(18)5-7-13/h2-7,10,15H,8-9,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42863375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).