5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide

C17H14ClN3O4 — CID 4811622

IUPAC5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C17H14ClN3O4/c1-24-15-7-6-12(18)8-13(15)17(23)21-20-16(22)10-25-14-5-3-2-4-11(14)9-19/h2-8H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRJQROEIITRGXRG-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.06
Rot. Bonds5

About 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide

5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide (PubChem CID 4811622) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
PubChem CID4811622
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C17H14ClN3O4/c1-24-15-7-6-12(18)8-13(15)17(23)21-20-16(22)10-25-14-5-3-2-4-11(14)9-19/h2-8H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRJQROEIITRGXRG-UHFFFAOYSA-N
XLogP2.06
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614904
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
CID 24636112
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide (CID 4811622) is 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccccc1C#N.
What is the InChIKey of 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide?
The InChIKey is RJQROEIITRGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-24-15-7-6-12(18)8-13(15)17(23)21-20-16(22)10-25-14-5-3-2-4-11(14)9-19/h2-8H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide?
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide has a molecular weight of 359.77 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 4811622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).