2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide

C20H16N2O4 — CID 16822106

IUPAC2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O4/c23-18-11-14(12-22(18)15-7-2-1-3-8-15)21-19(24)16-10-13-6-4-5-9-17(13)26-20(16)25/h1-10,14H,11-12H2,(H,21,24)
InChIKeyXAKRSVLGBZSYMQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.33
Rot. Bonds3

About 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide

2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide (PubChem CID 16822106) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
PubChem CID16822106
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O4/c23-18-11-14(12-22(18)15-7-2-1-3-8-15)21-19(24)16-10-13-6-4-5-9-17(13)26-20(16)25/h1-10,14H,11-12H2,(H,21,24)
InChIKeyXAKRSVLGBZSYMQ-UHFFFAOYSA-N
XLogP2.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 7564441
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 7564205
4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
CID 71936874
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255754
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 7546827
2,3,4-trifluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 110736815

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide (CID 16822106) is 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide is O=C(NC1CC(=O)N(c2ccccc2)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide?
The InChIKey is XAKRSVLGBZSYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-18-11-14(12-22(18)15-7-2-1-3-8-15)21-19(24)16-10-13-6-4-5-9-17(13)26-20(16)25/h1-10,14H,11-12H2,(H,21,24).
What are the key properties of 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide?
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide is sourced from PubChem (CID 16822106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).