4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide

C24H18N2O5 — CID 27568393

IUPAC4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H18N2O5/c27-19-14-22(31-21-13-7-5-11-18(19)21)24(29)26-25-23(28)15-30-20-12-6-4-10-17(20)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,28)(H,26,29)
InChIKeyIXFGDMFQAJWHPW-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.30
Rot. Bonds5

About 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide

4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide (PubChem CID 27568393) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
PubChem CID27568393
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H18N2O5/c27-19-14-22(31-21-13-7-5-11-18(19)21)24(29)26-25-23(28)15-30-20-12-6-4-10-17(20)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,28)(H,26,29)
InChIKeyIXFGDMFQAJWHPW-UHFFFAOYSA-N
XLogP3.30
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide?
The IUPAC name of 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide (CID 27568393) is 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide?
The InChIKey is IXFGDMFQAJWHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-19-14-22(31-21-13-7-5-11-18(19)21)24(29)26-25-23(28)15-30-20-12-6-4-10-17(20)16-8-2-1-3-9-16/h1-14H,15H2,(H,25,28)(H,26,29).
What are the key properties of 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide?
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide has a molecular weight of 414.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide is sourced from PubChem (CID 27568393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).