N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride

C16H21BrClN3O2 — CID 119614281

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCN(c2cccc(Br)c2)C1=O)C1CC1
InChIInChI=1S/C16H20BrN3O2.ClH/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10;/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21);1H
InChIKeyFKAZKBRMWFGJDF-UHFFFAOYSA-N
MW402.72 g/mol
LogP2.08
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119614281) has the molecular formula C16H21BrClN3O2 and a molecular weight of 402.72 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119614281
Molecular FormulaC16H21BrClN3O2
Molecular Weight402.72 g/mol
Exact Mass401.05
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCN(c2cccc(Br)c2)C1=O)C1CC1
InChIInChI=1S/C16H20BrN3O2.ClH/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10;/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21);1H
InChIKeyFKAZKBRMWFGJDF-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615310
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
methyl 2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 55871218
(2R)-2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364643
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119640980
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
(3R)-1-(3-bromophenyl)-N-[(1S)-3-(methylamino)-3-oxo-1-phenylpropyl]-2-oxopyrrolidine-3-carboxamide
CID 100647443
1-(3-bromophenyl)-N-[1-(4-methoxyphenyl)propyl]-2-oxopyrrolidine-3-carboxamide
CID 55876146
methyl 3-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-(2-chlorophenyl)propanoate
CID 55871741

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119614281) is N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCN(c2cccc(Br)c2)C1=O)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FKAZKBRMWFGJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2.ClH/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10;/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 402.72 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119614281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).