1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide

C18H22BrN3O3 — CID 43066133

IUPAC1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H22BrN3O3/c19-14-5-1-2-6-15(14)22-12-13(11-17(22)24)18(25)20-8-4-10-21-9-3-7-16(21)23/h1-2,5-6,13H,3-4,7-12H2,(H,20,25)
InChIKeyYXPVRRNGQZVPIG-UHFFFAOYSA-N
MW408.30 g/mol
LogP1.93
Rot. Bonds6

About 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 43066133) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID43066133
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H22BrN3O3/c19-14-5-1-2-6-15(14)22-12-13(11-17(22)24)18(25)20-8-4-10-21-9-3-7-16(21)23/h1-2,5-6,13H,3-4,7-12H2,(H,20,25)
InChIKeyYXPVRRNGQZVPIG-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43006162
(3R)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 30892212
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 39562299
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide (CID 43066133) is 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCN1CCCC1=O)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is YXPVRRNGQZVPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c19-14-5-1-2-6-15(14)22-12-13(11-17(22)24)18(25)20-8-4-10-21-9-3-7-16(21)23/h1-2,5-6,13H,3-4,7-12H2,(H,20,25).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide?
1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43066133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).