1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

C15H19BrN2O2 — CID 42853703

IUPAC1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)9-17-14(19)13-7-8-18(15(13)20)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyZFBKMXNPSDXZTP-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42853703) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42853703
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-10(2)9-17-14(19)13-7-8-18(15(13)20)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyZFBKMXNPSDXZTP-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
CID 46048952
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
(2R)-3-[[(3S)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 124690681
1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120829415
1-(4-chlorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483766
N-(3-aminopropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119409081
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
1-(3-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-oxopyrrolidine-3-carboxamide
CID 55830003
1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
CID 55843905

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide (CID 42853703) is 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is ZFBKMXNPSDXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)9-17-14(19)13-7-8-18(15(13)20)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42853703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).