1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide

C20H21BrN2O2 — CID 112834285

IUPAC1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)C2CCN(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C20H21BrN2O2/c1-2-5-14-8-10-15(11-9-14)22-19(24)16-12-13-23(20(16)25)18-7-4-3-6-17(18)21/h3-4,6-11,16H,2,5,12-13H2,1H3,(H,22,24)
InChIKeyZQTVRWSBVUKCOX-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.39
Rot. Bonds5

About 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide

1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide (PubChem CID 112834285) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
PubChem CID112834285
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)C2CCN(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C20H21BrN2O2/c1-2-5-14-8-10-15(11-9-14)22-19(24)16-12-13-23(20(16)25)18-7-4-3-6-17(18)21/h3-4,6-11,16H,2,5,12-13H2,1H3,(H,22,24)
InChIKeyZQTVRWSBVUKCOX-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.39
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-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 56517734
1-(2-bromophenyl)-2-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112834583
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 55788463
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363528
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide (CID 112834285) is 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide is CCCc1ccc(NC(=O)C2CCN(c3ccccc3Br)C2=O)cc1.
What is the InChIKey of 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZQTVRWSBVUKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-2-5-14-8-10-15(11-9-14)22-19(24)16-12-13-23(20(16)25)18-7-4-3-6-17(18)21/h3-4,6-11,16H,2,5,12-13H2,1H3,(H,22,24).
What are the key properties of 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112834285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).