[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate

C20H14ClNO2 — CID 691027

IUPAC[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-8-10-18(11-9-17)22-14-15-6-12-19(13-7-15)24-20(23)16-4-2-1-3-5-16/h1-14H/b22-14+
InChIKeyHFPDZRXMUSWTIF-HYARGMPZSA-N
MW335.79 g/mol
LogP5.31
Rot. Bonds4

About [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate

[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate (PubChem CID 691027) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
PubChem CID691027
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-8-10-18(11-9-17)22-14-15-6-12-19(13-7-15)24-20(23)16-4-2-1-3-5-16/h1-14H/b22-14+
InChIKeyHFPDZRXMUSWTIF-HYARGMPZSA-N
XLogP5.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-acetamidophenyl)iminomethyl]phenyl] benzoate
CID 1116148
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
[4-[(4-chlorophenyl)methylideneamino]phenyl] 4-pentoxybenzoate
CID 4071198
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[4-(phenyliminomethyl)phenyl] 4-propoxybenzoate
CID 86006119
(3-chlorophenyl) 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 101042830
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5139439

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate?
The IUPAC name of [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate (CID 691027) is [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate.
What is the SMILES notation for [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate?
The canonical SMILES for [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate is O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate?
The InChIKey is HFPDZRXMUSWTIF-HYARGMPZSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-17-8-10-18(11-9-17)22-14-15-6-12-19(13-7-15)24-20(23)16-4-2-1-3-5-16/h1-14H/b22-14+.
What are the key properties of [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate?
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate has a molecular weight of 335.79 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate is sourced from PubChem (CID 691027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).