[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate

C15H14Cl2N2O2 — CID 169387072

IUPAC[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1cc(Cl)c(CNNc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(20)21-12-7-14(16)13(15(17)8-12)9-18-19-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3
InChIKeyMFXRPDBKSYGESE-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.04
Rot. Bonds5

About [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate

[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate (PubChem CID 169387072) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate.

Molecular Properties

Compound Name[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate
PubChem CID169387072
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1cc(Cl)c(CNNc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(20)21-12-7-14(16)13(15(17)8-12)9-18-19-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3
InChIKeyMFXRPDBKSYGESE-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386720
phenyl acetate;hydroiodide
CID 172788123
1-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386901
1-chloro-2-methylbenzene;phenyl acetate
CID 160646986
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
1-[(2-chloro-4-iodophenyl)methyl]-2-phenylhydrazine
CID 169386761
[3-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927910
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
[3-acetyloxy-5-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] acetate
CID 129303354
2,4,6-tribromo-3-[(2-phenylhydrazinyl)methyl]phenol
CID 169384554
sodium;hydride;phenyl acetate
CID 159991718

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate?
The IUPAC name of [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate (CID 169387072) is [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate.
What is the SMILES notation for [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate?
The canonical SMILES for [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate is CC(=O)Oc1cc(Cl)c(CNNc2ccccc2)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate?
The InChIKey is MFXRPDBKSYGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10(20)21-12-7-14(16)13(15(17)8-12)9-18-19-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3.
What are the key properties of [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate?
[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate has a molecular weight of 325.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate is sourced from PubChem (CID 169387072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).