3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate

C16H15N2O3- — CID 7992359

IUPAC3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCCOc1ccccc1/C=N\Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c1-2-21-15-9-4-3-6-13(15)11-17-18-14-8-5-7-12(10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20)/p-1/b17-11-
InChIKeyWWXXKLWJZRUMEW-BOPFTXTBSA-M
MW283.31 g/mol
LogP1.89
Rot. Bonds6

About 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7992359) has the molecular formula C16H15N2O3- and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7992359
Molecular FormulaC16H15N2O3-
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCCOc1ccccc1/C=N\Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c1-2-21-15-9-4-3-6-13(15)11-17-18-14-8-5-7-12(10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20)/p-1/b17-11-
InChIKeyWWXXKLWJZRUMEW-BOPFTXTBSA-M
XLogP1.89
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7992359) is 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate is CCOc1ccccc1/C=N\Nc1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is WWXXKLWJZRUMEW-BOPFTXTBSA-M. The full InChI is InChI=1S/C16H16N2O3/c1-2-21-15-9-4-3-6-13(15)11-17-18-14-8-5-7-12(10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20)/p-1/b17-11-.
What are the key properties of 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate?
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 283.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7992359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).