3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide

C26H17NO4 — CID 19133047

IUPAC3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C26H17NO4/c28-25(27-22-12-6-7-13-24(22)30-18-9-2-1-3-10-18)21-16-20-19-11-5-4-8-17(19)14-15-23(20)31-26(21)29/h1-16H,(H,27,28)
InChIKeyYLWRANXVVMLYRV-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.99
Rot. Bonds4

About 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide

3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide (PubChem CID 19133047) has the molecular formula C26H17NO4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
PubChem CID19133047
Molecular FormulaC26H17NO4
Molecular Weight407.43 g/mol
Exact Mass407.12
IUPAC Name3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C26H17NO4/c28-25(27-22-12-6-7-13-24(22)30-18-9-2-1-3-10-18)21-16-20-19-11-5-4-8-17(19)14-15-23(20)31-26(21)29/h1-16H,(H,27,28)
InChIKeyYLWRANXVVMLYRV-UHFFFAOYSA-N
XLogP5.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 3953765
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
CID 1045606
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 827865

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide?
The IUPAC name of 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide (CID 19133047) is 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide?
The InChIKey is YLWRANXVVMLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO4/c28-25(27-22-12-6-7-13-24(22)30-18-9-2-1-3-10-18)21-16-20-19-11-5-4-8-17(19)14-15-23(20)31-26(21)29/h1-16H,(H,27,28).
What are the key properties of 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide?
3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 19133047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).