[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate

C21H15ClFNO3 — CID 7179994

IUPAC[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
SMILESCOc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15ClFNO3/c1-26-20-12-14(13-24-18-5-3-2-4-17(18)22)6-11-19(20)27-21(25)15-7-9-16(23)10-8-15/h2-13H,1H3/b24-13+
InChIKeyLRJKDCPZTDQZOA-ZMOGYAJESA-N
MW383.81 g/mol
LogP5.46
Rot. Bonds5

About [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate

[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate (PubChem CID 7179994) has the molecular formula C21H15ClFNO3 and a molecular weight of 383.81 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
PubChem CID7179994
Molecular FormulaC21H15ClFNO3
Molecular Weight383.81 g/mol
Exact Mass383.07
IUPAC Name[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
SMILESCOc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H15ClFNO3/c1-26-20-12-14(13-24-18-5-3-2-4-17(18)22)6-11-19(20)27-21(25)15-7-9-16(23)10-8-15/h2-13H,1H3/b24-13+
InChIKeyLRJKDCPZTDQZOA-ZMOGYAJESA-N
XLogP5.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 5195139
[4-[(Z)-(dimethylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 6297666
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3565746
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-fluorobenzoate
CID 36827938
[2-methoxy-4-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3427707
[2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate
CID 6788421
[4-[(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 4240915
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 3778138
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate?
The IUPAC name of [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate (CID 7179994) is [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate.
What is the SMILES notation for [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate?
The canonical SMILES for [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate is COc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccc(F)cc1.
What is the InChIKey of [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate?
The InChIKey is LRJKDCPZTDQZOA-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15ClFNO3/c1-26-20-12-14(13-24-18-5-3-2-4-17(18)22)6-11-19(20)27-21(25)15-7-9-16(23)10-8-15/h2-13H,1H3/b24-13+.
What are the key properties of [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate?
[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate has a molecular weight of 383.81 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate is sourced from PubChem (CID 7179994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).