3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide

C20H15NO3 — CID 24806027

IUPAC3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide
SMILESNC(=O)c1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1
InChIInChI=1S/C20H15NO3/c21-20(23)14-6-8-15-13(10-14)7-9-17-19(15)16(11-18(22)24-17)12-4-2-1-3-5-12/h1-10,16H,11H2,(H2,21,23)
InChIKeyYREPEFNWVMPUKT-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.38
Rot. Bonds2

About 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide

3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide (PubChem CID 24806027) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide.

Molecular Properties

Compound Name3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide
PubChem CID24806027
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide
SMILESNC(=O)c1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1
InChIInChI=1S/C20H15NO3/c21-20(23)14-6-8-15-13(10-14)7-9-17-19(15)16(11-18(22)24-17)12-4-2-1-3-5-12/h1-10,16H,11H2,(H2,21,23)
InChIKeyYREPEFNWVMPUKT-UHFFFAOYSA-N
XLogP3.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide?
The IUPAC name of 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide (CID 24806027) is 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide.
What is the SMILES notation for 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide?
The canonical SMILES for 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide is NC(=O)c1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1.
What is the InChIKey of 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide?
The InChIKey is YREPEFNWVMPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c21-20(23)14-6-8-15-13(10-14)7-9-17-19(15)16(11-18(22)24-17)12-4-2-1-3-5-12/h1-10,16H,11H2,(H2,21,23).
What are the key properties of 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide?
3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-phenyl-1,2-dihydrobenzo[f]chromene-8-carboxamide is sourced from PubChem (CID 24806027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).