N-(2-oxochromen-6-yl)-2-phenylacetamide

C17H13NO3 — CID 794755

IUPACN-(2-oxochromen-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H13NO3/c19-16(10-12-4-2-1-3-5-12)18-14-7-8-15-13(11-14)6-9-17(20)21-15/h1-9,11H,10H2,(H,18,19)
InChIKeyRMFLQWOOXWJHJW-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.97
Rot. Bonds3

About N-(2-oxochromen-6-yl)-2-phenylacetamide

N-(2-oxochromen-6-yl)-2-phenylacetamide (PubChem CID 794755) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)-2-phenylacetamide
PubChem CID794755
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-(2-oxochromen-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H13NO3/c19-16(10-12-4-2-1-3-5-12)18-14-7-8-15-13(11-14)6-9-17(20)21-15/h1-9,11H,10H2,(H,18,19)
InChIKeyRMFLQWOOXWJHJW-UHFFFAOYSA-N
XLogP2.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)-2-phenylacetamide?
The IUPAC name of N-(2-oxochromen-6-yl)-2-phenylacetamide (CID 794755) is N-(2-oxochromen-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-oxochromen-6-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(2-oxochromen-6-yl)-2-phenylacetamide?
The InChIKey is RMFLQWOOXWJHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16(10-12-4-2-1-3-5-12)18-14-7-8-15-13(11-14)6-9-17(20)21-15/h1-9,11H,10H2,(H,18,19).
What are the key properties of N-(2-oxochromen-6-yl)-2-phenylacetamide?
N-(2-oxochromen-6-yl)-2-phenylacetamide has a molecular weight of 279.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)-2-phenylacetamide is sourced from PubChem (CID 794755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).