8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide

C28H19NO5 — CID 86650382

IUPAC8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccccc3)cc2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C28H19NO5/c30-25-11-5-7-20-17-24(28(32)34-26(20)25)27(31)29-21-8-4-6-19(16-21)18-12-14-23(15-13-18)33-22-9-2-1-3-10-22/h1-17,30H,(H,29,31)
InChIKeyHPEISABQSGOYFN-UHFFFAOYSA-N
MW449.46 g/mol
LogP6.21
Rot. Bonds5

About 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide

8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide (PubChem CID 86650382) has the molecular formula C28H19NO5 and a molecular weight of 449.46 g/mol. Its IUPAC name is 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
PubChem CID86650382
Molecular FormulaC28H19NO5
Molecular Weight449.46 g/mol
Exact Mass449.13
IUPAC Name8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccccc3)cc2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C28H19NO5/c30-25-11-5-7-20-17-24(28(32)34-26(20)25)27(31)29-21-8-4-6-19(16-21)18-12-14-23(15-13-18)33-22-9-2-1-3-10-22/h1-17,30H,(H,29,31)
InChIKeyHPEISABQSGOYFN-UHFFFAOYSA-N
XLogP6.21
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650418
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650433
N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650369
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 804653
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide (CID 86650382) is 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide is O=C(Nc1cccc(-c2ccc(Oc3ccccc3)cc2)c1)c1cc2cccc(O)c2oc1=O.
What is the InChIKey of 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide?
The InChIKey is HPEISABQSGOYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO5/c30-25-11-5-7-20-17-24(28(32)34-26(20)25)27(31)29-21-8-4-6-19(16-21)18-12-14-23(15-13-18)33-22-9-2-1-3-10-22/h1-17,30H,(H,29,31).
What are the key properties of 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide?
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 86650382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).