methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate

C15H14FNO2 — CID 95466016

IUPACmethyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO2/c1-18-15(17)11-6-8-13(9-7-11)19-10-12-4-2-3-5-14(12)16/h2-9,17H,10H2,1H3/b17-15-
InChIKeyDLPBMTNRZWZFAB-ICFOKQHNSA-N
MW259.28 g/mol
LogP3.38
Rot. Bonds4

About methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate

methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate (PubChem CID 95466016) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
PubChem CID95466016
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namemethyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO2/c1-18-15(17)11-6-8-13(9-7-11)19-10-12-4-2-3-5-14(12)16/h2-9,17H,10H2,1H3/b17-15-
InChIKeyDLPBMTNRZWZFAB-ICFOKQHNSA-N
XLogP3.38
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 42656905
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
(E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374827
[4-[(2-fluorophenyl)methoxy]phenyl]-methyl-methylideneazanium
CID 123448679
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
3-fluoro-4-(phenoxymethyl)benzenecarboximidamide;dihydrochloride
CID 175793778
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate?
The IUPAC name of methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate (CID 95466016) is methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate is [H]/N=C(\OC)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate?
The InChIKey is DLPBMTNRZWZFAB-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-18-15(17)11-6-8-13(9-7-11)19-10-12-4-2-3-5-14(12)16/h2-9,17H,10H2,1H3/b17-15-.
What are the key properties of methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate?
methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate has a molecular weight of 259.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)methoxy]benzenecarboximidate is sourced from PubChem (CID 95466016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).