(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H17N3O4 — CID 1341038

IUPAC(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2C1=O
InChIInChI=1S/C20H17N3O4/c1-22-19(26)15-8-7-13(10-16(15)20(22)27)21-18(25)12-9-17(24)23(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyBZBSXGRKMBEMRQ-LBPRGKRZSA-N
MW363.37 g/mol
LogP1.90
Rot. Bonds3

About (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 1341038) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID1341038
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2C1=O
InChIInChI=1S/C20H17N3O4/c1-22-19(26)15-8-7-13(10-16(15)20(22)27)21-18(25)12-9-17(24)23(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyBZBSXGRKMBEMRQ-LBPRGKRZSA-N
XLogP1.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404012
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 3146264
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 1341038) is (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN1C(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2C1=O.
What is the InChIKey of (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is BZBSXGRKMBEMRQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-22-19(26)15-8-7-13(10-16(15)20(22)27)21-18(25)12-9-17(24)23(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 1341038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).