(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one

C16H16Br2N2O2 — CID 100712614

IUPAC(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC=C(Br)C1
InChIInChI=1S/C16H16Br2N2O2/c17-12-4-3-7-19(10-12)16(22)11-8-15(21)20(9-11)14-6-2-1-5-13(14)18/h1-2,4-6,11H,3,7-10H2/t11-/m0/s1
InChIKeyLYPJZAVQYOYSNW-NSHDSACASA-N
MW428.12 g/mol
LogP3.31
Rot. Bonds2

About (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one

(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one (PubChem CID 100712614) has the molecular formula C16H16Br2N2O2 and a molecular weight of 428.12 g/mol. Its IUPAC name is (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
PubChem CID100712614
Molecular FormulaC16H16Br2N2O2
Molecular Weight428.12 g/mol
Exact Mass425.96
IUPAC Name(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC=C(Br)C1
InChIInChI=1S/C16H16Br2N2O2/c17-12-4-3-7-19(10-12)16(22)11-8-15(21)20(9-11)14-6-2-1-5-13(14)18/h1-2,4-6,11H,3,7-10H2/t11-/m0/s1
InChIKeyLYPJZAVQYOYSNW-NSHDSACASA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 120657752
ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258507
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55583198
1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56532644
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(4S)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7438163

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one (CID 100712614) is (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC=C(Br)C1.
What is the InChIKey of (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The InChIKey is LYPJZAVQYOYSNW-NSHDSACASA-N. The full InChI is InChI=1S/C16H16Br2N2O2/c17-12-4-3-7-19(10-12)16(22)11-8-15(21)20(9-11)14-6-2-1-5-13(14)18/h1-2,4-6,11H,3,7-10H2/t11-/m0/s1.
What are the key properties of (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one has a molecular weight of 428.12 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 100712614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).