[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate

C17H15ClN2O4 — CID 171131741

IUPAC[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
SMILESCCOC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-2-23-17(22)20-19-11-12-7-3-6-10-15(12)24-16(21)13-8-4-5-9-14(13)18/h3-11H,2H2,1H3,(H,20,22)
InChIKeyKBOPMXSKOFGQLY-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.64
Rot. Bonds5

About [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate

[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate (PubChem CID 171131741) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
PubChem CID171131741
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
SMILESCCOC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-2-23-17(22)20-19-11-12-7-3-6-10-15(12)24-16(21)13-8-4-5-9-14(13)18/h3-11H,2H2,1H3,(H,20,22)
InChIKeyKBOPMXSKOFGQLY-UHFFFAOYSA-N
XLogP3.64
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.64
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
[2-[(E)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19661185
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
[2-[[[3-(2-chlorophenyl)-7-methyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126401286
[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126402030
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299

Frequently Asked Questions

What is the IUPAC name of [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate?
The IUPAC name of [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate (CID 171131741) is [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate?
The canonical SMILES for [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is CCOC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1Cl.
What is the InChIKey of [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate?
The InChIKey is KBOPMXSKOFGQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-2-23-17(22)20-19-11-12-7-3-6-10-15(12)24-16(21)13-8-4-5-9-14(13)18/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate?
[2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate has a molecular weight of 346.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is sourced from PubChem (CID 171131741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).