2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide

C18H16FNO — CID 54411867

IUPAC2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
SMILESO=C(C=C1CCCc2ccc(F)cc21)Nc1ccccc1
InChIInChI=1S/C18H16FNO/c19-15-10-9-13-5-4-6-14(17(13)12-15)11-18(21)20-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2,(H,20,21)
InChIKeyVURZCWZJMHYHHK-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.18
Rot. Bonds2

About 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide

2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide (PubChem CID 54411867) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
PubChem CID54411867
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
SMILESO=C(C=C1CCCc2ccc(F)cc21)Nc1ccccc1
InChIInChI=1S/C18H16FNO/c19-15-10-9-13-5-4-6-14(17(13)12-15)11-18(21)20-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2,(H,20,21)
InChIKeyVURZCWZJMHYHHK-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide?
The IUPAC name of 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide (CID 54411867) is 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide.
What is the SMILES notation for 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide?
The canonical SMILES for 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide is O=C(C=C1CCCc2ccc(F)cc21)Nc1ccccc1.
What is the InChIKey of 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide?
The InChIKey is VURZCWZJMHYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-15-10-9-13-5-4-6-14(17(13)12-15)11-18(21)20-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2,(H,20,21).
What are the key properties of 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide?
2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide has a molecular weight of 281.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide is sourced from PubChem (CID 54411867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).