[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate

C18H16FNO3 — CID 5344850

IUPAC[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
SMILESCOc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1F
InChIInChI=1S/C18H16FNO3/c1-22-13-9-10-14-12(11-13)5-4-8-17(14)20-23-18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-11H,4-5,8H2,1H3/b20-17+
InChIKeyRJDBARDHVCFJQS-LVZFUZTISA-N
MW313.33 g/mol
LogP3.73
Rot. Bonds3

About [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate

[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate (PubChem CID 5344850) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate.

Molecular Properties

Compound Name[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
PubChem CID5344850
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
SMILESCOc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1F
InChIInChI=1S/C18H16FNO3/c1-22-13-9-10-14-12(11-13)5-4-8-17(14)20-23-18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-11H,4-5,8H2,1H3/b20-17+
InChIKeyRJDBARDHVCFJQS-LVZFUZTISA-N
XLogP3.73
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 9556941
1-phenylethanone O-(4-methoxybenzoyl)oxime
CID 5412057
ethyl (1E)-6-methoxy-1-[methyl(oxido)imino]-3-phenyl-1H-indene-2-carboxylate
CID 11530143
(4Z)-4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679283
(1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one O-(2-methoxybenzoyl)oxime
CID 6537361
5-methoxy-1-indanone O-(2-methoxybenzoyl)oxime
CID 5350139
1-(2-{[(4-Fluorobenzoyl)oxy]ethanimidoyl}cyclopropyl)-4-methoxybenzene
CID 6161366
5-methoxy-1-indanone O-(3-methylbenzoyl)oxime
CID 9563759
10-[(4-Methoxyphenyl)methoxyimino]anthracen-9-one
CID 46855324
[[4-[(4-Methoxyphenyl)methyl]cyclohexylidene]amino] 4-tert-butylbenzoate
CID 2802484
(E)-ethyl 6-methoxy-1-(methoxyimino)-3-phenyl-1H-indene-2-carboxylate
CID 44443517
[(10-Oxoanthracen-9-ylidene)amino] 4-methoxybenzoate
CID 46855161

Frequently Asked Questions

What is the IUPAC name of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The IUPAC name of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate (CID 5344850) is [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate.
What is the SMILES notation for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The canonical SMILES for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate is COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1F.
What is the InChIKey of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The InChIKey is RJDBARDHVCFJQS-LVZFUZTISA-N. The full InChI is InChI=1S/C18H16FNO3/c1-22-13-9-10-14-12(11-13)5-4-8-17(14)20-23-18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-11H,4-5,8H2,1H3/b20-17+.
What are the key properties of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate has a molecular weight of 313.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate is sourced from PubChem (CID 5344850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).