1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine

C14H13Cl2FN2O — CID 169386720

IUPAC1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCOc1c(Cl)cc(Cl)c(CNNc2ccccc2)c1F
InChIInChI=1S/C14H13Cl2FN2O/c1-20-14-12(16)7-11(15)10(13(14)17)8-18-19-9-5-3-2-4-6-9/h2-7,18-19H,8H2,1H3
InChIKeyXFPOWVDCIYHBLV-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.26
Rot. Bonds5

About 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine

1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386720) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386720
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine
SMILESCOc1c(Cl)cc(Cl)c(CNNc2ccccc2)c1F
InChIInChI=1S/C14H13Cl2FN2O/c1-20-14-12(16)7-11(15)10(13(14)17)8-18-19-9-5-3-2-4-6-9/h2-7,18-19H,8H2,1H3
InChIKeyXFPOWVDCIYHBLV-UHFFFAOYSA-N
XLogP4.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
[3,5-dichloro-4-[(2-phenylhydrazinyl)methyl]phenyl] acetate
CID 169387072
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]-2-phenylhydrazine
CID 169387140
4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
1-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169385117
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
1-[[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387097
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine (CID 169386720) is 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine is COc1c(Cl)cc(Cl)c(CNNc2ccccc2)c1F.
What is the InChIKey of 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is XFPOWVDCIYHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-20-14-12(16)7-11(15)10(13(14)17)8-18-19-9-5-3-2-4-6-9/h2-7,18-19H,8H2,1H3.
What are the key properties of 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine?
1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 315.18 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-2-fluoro-3-methoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).