2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide

C15H14Cl2N2O2 — CID 105351478

IUPAC2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-2-1-3-13(17)15(12)21-9-11-6-4-10(5-7-11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeySROIKOLCVQHODI-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide

2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide (PubChem CID 105351478) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
PubChem CID105351478
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-12-2-1-3-13(17)15(12)21-9-11-6-4-10(5-7-11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeySROIKOLCVQHODI-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[4-[(2,3-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351465
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
2-[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351399
2-[2-(3-chloro-2-phenylmethoxyphenyl)phenyl]benzamide
CID 69309565
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide (CID 105351478) is 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(COc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is SROIKOLCVQHODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-2-1-3-13(17)15(12)21-9-11-6-4-10(5-7-11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide?
2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 325.20 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).