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

C17H25BrClN3O2 — CID 119640980

IUPACN-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCN(c2cccc(Br)c2)C1=O.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-3-17(19,4-2)11-20-15(22)14-8-9-21(16(14)23)13-7-5-6-12(18)10-13;/h5-7,10,14H,3-4,8-9,11,19H2,1-2H3,(H,20,22);1H
InChIKeyFDLAEZMGJSDZRP-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.86
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119640980) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119640980
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCN(c2cccc(Br)c2)C1=O.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-3-17(19,4-2)11-20-15(22)14-8-9-21(16(14)23)13-7-5-6-12(18)10-13;/h5-7,10,14H,3-4,8-9,11,19H2,1-2H3,(H,20,22);1H
InChIKeyFDLAEZMGJSDZRP-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.86
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

1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 55883884
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119614281
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
(3R)-1-(3-bromophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 99812133
(3R)-1-(3-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 52533801
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
(3S)-1-(3-bromophenyl)-2-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 97082940
1-(3-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-oxopyrrolidine-3-carboxamide
CID 55830003

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119640980) is N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CCN(c2cccc(Br)c2)C1=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FDLAEZMGJSDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-3-17(19,4-2)11-20-15(22)14-8-9-21(16(14)23)13-7-5-6-12(18)10-13;/h5-7,10,14H,3-4,8-9,11,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119640980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).