1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C19H18BrN3O3 — CID 56517734

IUPAC1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccccc3Br)C2=O)ccc1C(N)=O
InChIInChI=1S/C19H18BrN3O3/c1-11-10-12(6-7-13(11)17(21)24)22-18(25)14-8-9-23(19(14)26)16-5-3-2-4-15(16)20/h2-7,10,14H,8-9H2,1H3,(H2,21,24)(H,22,25)
InChIKeyORAMUJQQVFBWMC-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.85
Rot. Bonds4

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

1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 56517734) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID56517734
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccccc3Br)C2=O)ccc1C(N)=O
InChIInChI=1S/C19H18BrN3O3/c1-11-10-12(6-7-13(11)17(21)24)22-18(25)14-8-9-23(19(14)26)16-5-3-2-4-15(16)20/h2-7,10,14H,8-9H2,1H3,(H2,21,24)(H,22,25)
InChIKeyORAMUJQQVFBWMC-UHFFFAOYSA-N
XLogP2.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.85
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-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
4-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 56571589
1-(2-bromophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 55789095
1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112834583
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
N-[2-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119604411

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 56517734) is 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CCN(c3ccccc3Br)C2=O)ccc1C(N)=O.
What is the InChIKey of 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is ORAMUJQQVFBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-11-10-12(6-7-13(11)17(21)24)22-18(25)14-8-9-23(19(14)26)16-5-3-2-4-15(16)20/h2-7,10,14H,8-9H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56517734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).