1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H23BrN2O3 — CID 86801814

IUPAC1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)CCC(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)O1
InChIInChI=1S/C18H23BrN2O3/c1-18(2)8-7-13(24-18)10-20-17(23)12-9-16(22)21(11-12)15-6-4-3-5-14(15)19/h3-6,12-13H,7-11H2,1-2H3,(H,20,23)
InChIKeyAYLPSYWXTNUJLI-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 86801814) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID86801814
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC Name1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1(C)CCC(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)O1
InChIInChI=1S/C18H23BrN2O3/c1-18(2)8-7-13(24-18)10-20-17(23)12-9-16(22)21(11-12)15-6-4-3-5-14(15)19/h3-6,12-13H,7-11H2,1-2H3,(H,20,23)
InChIKeyAYLPSYWXTNUJLI-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide 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

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 87043657
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191
(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 95784633
(3R)-1-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 95784632

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 86801814) is 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CC1(C)CCC(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)O1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AYLPSYWXTNUJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-18(2)8-7-13(24-18)10-20-17(23)12-9-16(22)21(11-12)15-6-4-3-5-14(15)19/h3-6,12-13H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86801814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).