[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate

C16H14ClNO3 — CID 6873737

IUPAC[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
SMILESCCOc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-2-20-15-9-3-12(4-10-15)11-18-21-16(19)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3/b18-11+
InChIKeyWBZNHKNWWOMFKZ-WOJGMQOQSA-N
MW303.75 g/mol
LogP3.93
Rot. Bonds5

About [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate

[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate (PubChem CID 6873737) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
PubChem CID6873737
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
SMILESCCOc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-2-20-15-9-3-12(4-10-15)11-18-21-16(19)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3/b18-11+
InChIKeyWBZNHKNWWOMFKZ-WOJGMQOQSA-N
XLogP3.93
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.93
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

[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 134051294
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
(3-chlorophenyl) 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 101042830
ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
CID 143594919
[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate
CID 679871
[4-[4-[[4-(4-ethoxybenzoyl)oxyphenyl]methylideneamino]butyliminomethyl]phenyl] 4-ethoxybenzoate
CID 101016570
[4-[(E)-3-[(4-chlorophenyl)methoxy]-3-oxoprop-1-enyl]phenyl] 4-ethoxybenzoate
CID 132584492

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate?
The IUPAC name of [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate (CID 6873737) is [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate.
What is the SMILES notation for [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate?
The canonical SMILES for [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate is CCOc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate?
The InChIKey is WBZNHKNWWOMFKZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-2-20-15-9-3-12(4-10-15)11-18-21-16(19)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3/b18-11+.
What are the key properties of [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate?
[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate has a molecular weight of 303.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate is sourced from PubChem (CID 6873737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).