2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

C27H23NO2 — CID 21190850

IUPAC2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23NO2/c29-19-25(18-20-8-2-1-3-9-20)28-27(30)26-13-7-6-12-24(26)17-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,19,25H,17-18H2,(H,28,30)
InChIKeyOKDFLTXGPQUTTG-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.97
Rot. Bonds7

About 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide

2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (PubChem CID 21190850) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
PubChem CID21190850
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1ccccc1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23NO2/c29-19-25(18-20-8-2-1-3-9-20)28-27(30)26-13-7-6-12-24(26)17-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,19,25H,17-18H2,(H,28,30)
InChIKeyOKDFLTXGPQUTTG-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide (CID 21190850) is 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is O=CC(Cc1ccccc1)NC(=O)c1ccccc1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The InChIKey is OKDFLTXGPQUTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c29-19-25(18-20-8-2-1-3-9-20)28-27(30)26-13-7-6-12-24(26)17-21-14-15-22-10-4-5-11-23(22)16-21/h1-16,19,25H,17-18H2,(H,28,30).
What are the key properties of 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 21190850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).