4-oxo-N-phenylchromene-3-carboxamide

C16H11NO3 — CID 12654835

IUPAC4-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)
InChIKeyNVUUCSMDDBUOOH-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.05
Rot. Bonds2

About 4-oxo-N-phenylchromene-3-carboxamide

4-oxo-N-phenylchromene-3-carboxamide (PubChem CID 12654835) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenylchromene-3-carboxamide
PubChem CID12654835
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)
InChIKeyNVUUCSMDDBUOOH-UHFFFAOYSA-N
XLogP3.05
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-N-phenylchromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 4-oxo-N-phenylchromene-3-carboxamide (CID 12654835) is 4-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1coc2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is NVUUCSMDDBUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19).
What are the key properties of 4-oxo-N-phenylchromene-3-carboxamide?
4-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 12654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).