3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C19H19FN2O2 — CID 5337440

IUPAC3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCOc1ccc2c(c1C)CCC/C2=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-12-15-7-4-8-17(16(15)9-10-18(12)24-2)21-22-19(23)13-5-3-6-14(20)11-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23)/b21-17+
InChIKeyUUVGFJQSUBRZAN-HEHNFIMWSA-N
MW326.37 g/mol
LogP3.61
Rot. Bonds3

About 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 5337440) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID5337440
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCOc1ccc2c(c1C)CCC/C2=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-12-15-7-4-8-17(16(15)9-10-18(12)24-2)21-22-19(23)13-5-3-6-14(20)11-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23)/b21-17+
InChIKeyUUVGFJQSUBRZAN-HEHNFIMWSA-N
XLogP3.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 5337440) is 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is COc1ccc2c(c1C)CCC/C2=N\NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is UUVGFJQSUBRZAN-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-15-7-4-8-17(16(15)9-10-18(12)24-2)21-22-19(23)13-5-3-6-14(20)11-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,22,23)/b21-17+.
What are the key properties of 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 326.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 5337440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).