2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide

C17H14FNO2 — CID 154665120

IUPAC2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1(F)CCc2ccccc2C1=O
InChIInChI=1S/C17H14FNO2/c18-17(16(21)19-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(17)20/h1-9H,10-11H2,(H,19,21)
InChIKeyQQFLZIAKUAOZCH-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.16
Rot. Bonds2

About 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide

2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 154665120) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide
PubChem CID154665120
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1(F)CCc2ccccc2C1=O
InChIInChI=1S/C17H14FNO2/c18-17(16(21)19-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(17)20/h1-9H,10-11H2,(H,19,21)
InChIKeyQQFLZIAKUAOZCH-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide (CID 154665120) is 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide is O=C(Nc1ccccc1)C1(F)CCc2ccccc2C1=O.
What is the InChIKey of 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is QQFLZIAKUAOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-17(16(21)19-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)15(17)20/h1-9H,10-11H2,(H,19,21).
What are the key properties of 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide?
2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-oxo-N-phenyl-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 154665120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).