(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide

C19H18FNO — CID 19698804

IUPAC(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
SMILESO=C(/C=C1\CCCc2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C19H18FNO/c20-17-10-9-15-7-4-8-16(18(15)12-17)11-19(22)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)/b16-11+
InChIKeyMYJWHOFDLMABGS-LFIBNONCSA-N
MW295.36 g/mol
LogP3.86
Rot. Bonds3

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

(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide (PubChem CID 19698804) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
PubChem CID19698804
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
SMILESO=C(/C=C1\CCCc2ccc(F)cc21)NCc1ccccc1
InChIInChI=1S/C19H18FNO/c20-17-10-9-15-7-4-8-16(18(15)12-17)11-19(22)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)/b16-11+
InChIKeyMYJWHOFDLMABGS-LFIBNONCSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.86
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 (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide?
The IUPAC name of (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide (CID 19698804) is (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide is O=C(/C=C1\CCCc2ccc(F)cc21)NCc1ccccc1.
What is the InChIKey of (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide?
The InChIKey is MYJWHOFDLMABGS-LFIBNONCSA-N. The full InChI is InChI=1S/C19H18FNO/c20-17-10-9-15-7-4-8-16(18(15)12-17)11-19(22)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)/b16-11+.
What are the key properties of (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide?
(2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide has a molecular weight of 295.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-benzyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide is sourced from PubChem (CID 19698804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).