N-(2-oxochromen-6-yl)naphthalene-2-carboxamide

C20H13NO3 — CID 965737

IUPACN-(2-oxochromen-6-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H13NO3/c22-19-10-7-15-12-17(8-9-18(15)24-19)21-20(23)16-6-5-13-3-1-2-4-14(13)11-16/h1-12H,(H,21,23)
InChIKeyRIROOOUOYJLHEU-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.20
Rot. Bonds2

About N-(2-oxochromen-6-yl)naphthalene-2-carboxamide

N-(2-oxochromen-6-yl)naphthalene-2-carboxamide (PubChem CID 965737) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)naphthalene-2-carboxamide
PubChem CID965737
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC NameN-(2-oxochromen-6-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H13NO3/c22-19-10-7-15-12-17(8-9-18(15)24-19)21-20(23)16-6-5-13-3-1-2-4-14(13)11-16/h1-12H,(H,21,23)
InChIKeyRIROOOUOYJLHEU-UHFFFAOYSA-N
XLogP4.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.20
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)naphthalene-2-carboxamide?
The IUPAC name of N-(2-oxochromen-6-yl)naphthalene-2-carboxamide (CID 965737) is N-(2-oxochromen-6-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-oxochromen-6-yl)naphthalene-2-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
The InChIKey is RIROOOUOYJLHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19-10-7-15-12-17(8-9-18(15)24-19)21-20(23)16-6-5-13-3-1-2-4-14(13)11-16/h1-12H,(H,21,23).
What are the key properties of N-(2-oxochromen-6-yl)naphthalene-2-carboxamide?
N-(2-oxochromen-6-yl)naphthalene-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 4.20, 2 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)naphthalene-2-carboxamide is sourced from PubChem (CID 965737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).