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

C19H18FNO3 — CID 5344900

IUPAC[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
SMILESCOc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-12-13-7-5-9-17(14(13)10-11-18(12)23-2)21-24-19(22)15-6-3-4-8-16(15)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3/b21-17+
InChIKeyLOLWTSARFNPRLW-HEHNFIMWSA-N
MW327.36 g/mol
LogP4.04
Rot. Bonds3

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

[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate (PubChem CID 5344900) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate.

Molecular Properties

Compound Name[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
PubChem CID5344900
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate
SMILESCOc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-12-13-7-5-9-17(14(13)10-11-18(12)23-2)21-24-19(22)15-6-3-4-8-16(15)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3/b21-17+
InChIKeyLOLWTSARFNPRLW-HEHNFIMWSA-N
XLogP4.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.04
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'}

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

6-methoxy-3,4-dihydro-1(2H)-naphthalenone O-(2-fluorobenzoyl)oxime
CID 5344850
(1E)-5-methoxyindan-1-one O-(2-methylbenzoyl)oxime
CID 9556941
(1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one O-(2-methoxybenzoyl)oxime
CID 6537361
4-[(E)-C-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-hexoxycarbonimidoyl]benzoic acid
CID 127024108
3-fluoro-N'-(6-methoxy-5-methyl-3,4-dihydro-1(2H)-naphthalenylidene)benzohydrazide
CID 5337440
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-[(E)-C-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylbutoxy)carbonimidoyl]benzoic acid
CID 127024109
4-[(E)-N-[(2,3-difluorophenyl)methoxy]-C-(3-ethoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
CID 127024143
[[4-[(4-Methoxyphenyl)methyl]cyclohexylidene]amino] 4-tert-butylbenzoate
CID 2802484

Frequently Asked Questions

What is the IUPAC name of [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The IUPAC name of [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate (CID 5344900) is [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate.
What is the SMILES notation for [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The canonical SMILES for [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate is COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccccc1F.
What is the InChIKey of [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
The InChIKey is LOLWTSARFNPRLW-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12-13-7-5-9-17(14(13)10-11-18(12)23-2)21-24-19(22)15-6-3-4-8-16(15)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3/b21-17+.
What are the key properties of [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate?
[(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate has a molecular weight of 327.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-fluorobenzoate is sourced from PubChem (CID 5344900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).