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

C20H16N2O4 — CID 71936874

IUPAC4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H16N2O4/c23-16-11-18(26-17-9-5-4-8-15(16)17)20(25)21-13-10-19(24)22(12-13)14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,21,25)
InChIKeyVXJFKMNUORVPFK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.33
Rot. Bonds3

About 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide

4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide (PubChem CID 71936874) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
PubChem CID71936874
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H16N2O4/c23-16-11-18(26-17-9-5-4-8-15(16)17)20(25)21-13-10-19(24)22(12-13)14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,21,25)
InChIKeyVXJFKMNUORVPFK-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

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Related Compounds

N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255754
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
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
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide (CID 71936874) is 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide is O=C(NC1CC(=O)N(c2ccccc2)C1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide?
The InChIKey is VXJFKMNUORVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-16-11-18(26-17-9-5-4-8-15(16)17)20(25)21-13-10-19(24)22(12-13)14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,21,25).
What are the key properties of 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide?
4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-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 4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide is sourced from PubChem (CID 71936874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).