N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H23BrClN3O2 — CID 119575241

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1.Cl
InChIInChI=1S/C17H22BrN3O2.ClH/c1-17(10-19,12-5-6-12)20-16(23)11-7-15(22)21(9-11)14-4-2-3-13(18)8-14;/h2-4,8,11-12H,5-7,9-10,19H2,1H3,(H,20,23);1H
InChIKeyQSEJFNALERNNCJ-UHFFFAOYSA-N
MW416.75 g/mol
LogP2.47
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119575241) has the molecular formula C17H23BrClN3O2 and a molecular weight of 416.75 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119575241
Molecular FormulaC17H23BrClN3O2
Molecular Weight416.75 g/mol
Exact Mass415.07
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1.Cl
InChIInChI=1S/C17H22BrN3O2.ClH/c1-17(10-19,12-5-6-12)20-16(23)11-7-15(22)21(9-11)14-4-2-3-13(18)8-14;/h2-4,8,11-12H,5-7,9-10,19H2,1H3,(H,20,23);1H
InChIKeyQSEJFNALERNNCJ-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride 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-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608316
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)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 43058804
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
1-[4-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]piperidine-4-carboxamide
CID 52909375
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-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119575241) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CC(CN)(NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QSEJFNALERNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2.ClH/c1-17(10-19,12-5-6-12)20-16(23)11-7-15(22)21(9-11)14-4-2-3-13(18)8-14;/h2-4,8,11-12H,5-7,9-10,19H2,1H3,(H,20,23);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 416.75 g/mol, XLogP of 2.47, 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-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119575241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).