N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C17H24BrN3O2 — CID 119608316

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-11(2)17(3,10-19)20-16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,11-12H,7,9-10,19H2,1-3H3,(H,20,23)
InChIKeyFCXVUZNZCYRPHL-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.29
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119608316) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119608316
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-11(2)17(3,10-19)20-16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,11-12H,7,9-10,19H2,1-3H3,(H,20,23)
InChIKeyFCXVUZNZCYRPHL-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-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

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119575241
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 43058804
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 119608316) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)C(C)(CN)NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FCXVUZNZCYRPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-11(2)17(3,10-19)20-16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,11-12H,7,9-10,19H2,1-3H3,(H,20,23).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119608316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).