1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H16BrFN2O4 — CID 119258507

IUPAC1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H16BrFN2O4/c17-11-3-1-2-4-12(11)20-8-10(7-13(20)21)14(22)19-6-5-16(18,9-19)15(23)24/h1-4,10H,5-9H2,(H,23,24)
InChIKeyIPKLVTUNYQEPEJ-UHFFFAOYSA-N
MW399.22 g/mol
LogP1.83
Rot. Bonds3

About 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258507) has the molecular formula C16H16BrFN2O4 and a molecular weight of 399.22 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258507
Molecular FormulaC16H16BrFN2O4
Molecular Weight399.22 g/mol
Exact Mass398.03
IUPAC Name1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H16BrFN2O4/c17-11-3-1-2-4-12(11)20-8-10(7-13(20)21)14(22)19-6-5-16(18,9-19)15(23)24/h1-4,10H,5-9H2,(H,23,24)
InChIKeyIPKLVTUNYQEPEJ-UHFFFAOYSA-N
XLogP1.83
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614
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
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
1-[[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185380
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 120805051
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258507) is 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is IPKLVTUNYQEPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O4/c17-11-3-1-2-4-12(11)20-8-10(7-13(20)21)14(22)19-6-5-16(18,9-19)15(23)24/h1-4,10H,5-9H2,(H,23,24).
What are the key properties of 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 399.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).