1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine

C13H11BrF2N2 — CID 169384645

IUPAC1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
SMILESFc1cc(F)c(Br)c(CNNc2ccccc2)c1
InChIInChI=1S/C13H11BrF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-7,17-18H,8H2
InChIKeyLNWDRWSPYQQEDC-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.84
Rot. Bonds4

About 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine

1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine (PubChem CID 169384645) has the molecular formula C13H11BrF2N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
PubChem CID169384645
Molecular FormulaC13H11BrF2N2
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
SMILESFc1cc(F)c(Br)c(CNNc2ccccc2)c1
InChIInChI=1S/C13H11BrF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-7,17-18H,8H2
InChIKeyLNWDRWSPYQQEDC-UHFFFAOYSA-N
XLogP3.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxy-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385910
1-[(5-fluoro-2-methylphenyl)methyl]-2-phenylhydrazine
CID 169384413
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
4-(4-fluorophenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387199
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384474
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
1-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385039

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine (CID 169384645) is 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine is Fc1cc(F)c(Br)c(CNNc2ccccc2)c1.
What is the InChIKey of 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine?
The InChIKey is LNWDRWSPYQQEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2/c14-13-9(6-10(15)7-12(13)16)8-17-18-11-4-2-1-3-5-11/h1-7,17-18H,8H2.
What are the key properties of 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine?
1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine has a molecular weight of 313.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).