(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
CID 54411867
(2Z)-N-cyclopropyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 23293620
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-(benzylamino)-4,4,4-trifluorobut-2-enamide
CID 3706822
N-benzyl-2-[3-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-6-fluoro-2-methylinden-1-ylidene]acetamide
CID 129251469
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730

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).