1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

C24H20N2O4 — CID 55581670

IUPAC1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H20N2O4/c27-23-12-17(14-26(23)18-10-11-21-22(13-18)30-15-29-21)24(28)25-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,13,17H,12,14-15H2,(H,25,28)
InChIKeyNOEBFMGJHJMUTN-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.07
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55581670) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID55581670
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H20N2O4/c27-23-12-17(14-26(23)18-10-11-21-22(13-18)30-15-29-21)24(28)25-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,13,17H,12,14-15H2,(H,25,28)
InChIKeyNOEBFMGJHJMUTN-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 108791260
1-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55632825
N-(2-aminophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119422136
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[2-(1-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46589225
(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-3-carboxamide
CID 51940912
1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 75366107
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 18077893
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylphenyl)azetidine-3-carboxamide
CID 90512838
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46589197
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide (CID 55581670) is 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C1CC(=O)N(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NOEBFMGJHJMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23-12-17(14-26(23)18-10-11-21-22(13-18)30-15-29-21)24(28)25-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,13,17H,12,14-15H2,(H,25,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55581670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).