4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide

C16H17ClN2O3 — CID 56929126

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)ccc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O3/c1-10-7-13(5-6-14(10)17)22-9-12-4-3-11(16(20)19-18)8-15(12)21-2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyBIFZJSBTNGIPOI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.84
Rot. Bonds5

About 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide

4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide (PubChem CID 56929126) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide
PubChem CID56929126
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)ccc1COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O3/c1-10-7-13(5-6-14(10)17)22-9-12-4-3-11(16(20)19-18)8-15(12)21-2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyBIFZJSBTNGIPOI-UHFFFAOYSA-N
XLogP2.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide (CID 56929126) is 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide is COc1cc(C(=O)NN)ccc1COc1ccc(Cl)c(C)c1.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide?
The InChIKey is BIFZJSBTNGIPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-7-13(5-6-14(10)17)22-9-12-4-3-11(16(20)19-18)8-15(12)21-2/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide?
4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide has a molecular weight of 320.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 56929126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).