N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline

C13H8Br2F2N2 — CID 169383987

IUPACN-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
SMILESFc1cc(Br)c(F)c(Br)c1C=NNc1ccccc1
InChIInChI=1S/C13H8Br2F2N2/c14-10-6-11(16)9(12(15)13(10)17)7-18-19-8-4-2-1-3-5-8/h1-7,19H
InChIKeyVFLVFGYZZGZAEL-UHFFFAOYSA-N
MW390.03 g/mol
LogP4.94
Rot. Bonds3

About N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline

N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline (PubChem CID 169383987) has the molecular formula C13H8Br2F2N2 and a molecular weight of 390.03 g/mol. Its IUPAC name is N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
PubChem CID169383987
Molecular FormulaC13H8Br2F2N2
Molecular Weight390.03 g/mol
Exact Mass387.90
IUPAC NameN-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
SMILESFc1cc(Br)c(F)c(Br)c1C=NNc1ccccc1
InChIInChI=1S/C13H8Br2F2N2/c14-10-6-11(16)9(12(15)13(10)17)7-18-19-8-4-2-1-3-5-8/h1-7,19H
InChIKeyVFLVFGYZZGZAEL-UHFFFAOYSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2-bromo-6-iodophenyl)methylideneamino]aniline
CID 169384067
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline (CID 169383987) is N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline is Fc1cc(Br)c(F)c(Br)c1C=NNc1ccccc1.
What is the InChIKey of N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline?
The InChIKey is VFLVFGYZZGZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2N2/c14-10-6-11(16)9(12(15)13(10)17)7-18-19-8-4-2-1-3-5-8/h1-7,19H.
What are the key properties of N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline?
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline has a molecular weight of 390.03 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169383987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).