N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C19H19BrN2O2 — CID 86882791

IUPACN-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3C)C2=O)cc1
InChIInChI=1S/C19H19BrN2O2/c1-12-6-8-14(9-7-12)22-11-10-15(19(22)24)18(23)21-17-5-3-4-16(20)13(17)2/h3-9,15H,10-11H2,1-2H3,(H,21,23)
InChIKeyUETICSSSJSSTHM-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.06
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 86882791) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID86882791
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3C)C2=O)cc1
InChIInChI=1S/C19H19BrN2O2/c1-12-6-8-14(9-7-12)22-11-10-15(19(22)24)18(23)21-17-5-3-4-16(20)13(17)2/h3-9,15H,10-11H2,1-2H3,(H,21,23)
InChIKeyUETICSSSJSSTHM-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.06
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

1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119422849
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119422848
N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
CID 123664942
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 120568728
2-methyl-2-[[1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 166214093
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 86882791) is N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3C)C2=O)cc1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is UETICSSSJSSTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-6-8-14(9-7-12)22-11-10-15(19(22)24)18(23)21-17-5-3-4-16(20)13(17)2/h3-9,15H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86882791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).