N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten

C24H20NO3W- — CID 58176202

IUPACN-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten
SMILES[CH2-]C(=O)C1(C(=O)CNC(=O)c2ccc3ccccc3c2)Cc2ccccc2C1.[W]
InChIInChI=1S/C24H20NO3.W/c1-16(26)24(13-20-8-4-5-9-21(20)14-24)22(27)15-25-23(28)19-11-10-17-6-2-3-7-18(17)12-19;/h2-12H,1,13-15H2,(H,25,28);/q-1;
InChIKeyRNODGTDSEITXKL-UHFFFAOYSA-N
MW554.27 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten

N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten (PubChem CID 58176202) has the molecular formula C24H20NO3W- and a molecular weight of 554.27 g/mol. Its IUPAC name is N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten.

Molecular Properties

Compound NameN-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten
PubChem CID58176202
Molecular FormulaC24H20NO3W-
Molecular Weight554.27 g/mol
Exact Mass554.10
IUPAC NameN-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten
SMILES[CH2-]C(=O)C1(C(=O)CNC(=O)c2ccc3ccccc3c2)Cc2ccccc2C1.[W]
InChIInChI=1S/C24H20NO3.W/c1-16(26)24(13-20-8-4-5-9-21(20)14-24)22(27)15-25-23(28)19-11-10-17-6-2-3-7-18(17)12-19;/h2-12H,1,13-15H2,(H,25,28);/q-1;
InChIKeyRNODGTDSEITXKL-UHFFFAOYSA-N
XLogP3.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten?
The IUPAC name of N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten (CID 58176202) is N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten.
What is the SMILES notation for N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten?
The canonical SMILES for N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten is [CH2-]C(=O)C1(C(=O)CNC(=O)c2ccc3ccccc3c2)Cc2ccccc2C1.[W].
What is the InChIKey of N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten?
The InChIKey is RNODGTDSEITXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO3.W/c1-16(26)24(13-20-8-4-5-9-21(20)14-24)22(27)15-25-23(28)19-11-10-17-6-2-3-7-18(17)12-19;/h2-12H,1,13-15H2,(H,25,28);/q-1;.
What are the key properties of N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten?
N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten has a molecular weight of 554.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetyl-1,3-dihydroinden-2-yl)-2-oxoethyl]naphthalene-2-carboxamide;tungsten is sourced from PubChem (CID 58176202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).