N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline

C13H9BrFIN2 — CID 169384095

IUPACN-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
SMILESFc1c(Br)ccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H9BrFIN2/c14-11-7-6-9(13(16)12(11)15)8-17-18-10-4-2-1-3-5-10/h1-8,18H
InChIKeySGTXBRBAOVWGNV-UHFFFAOYSA-N
MW419.04 g/mol
LogP4.64
Rot. Bonds3

About N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline

N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline (PubChem CID 169384095) has the molecular formula C13H9BrFIN2 and a molecular weight of 419.04 g/mol. Its IUPAC name is N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
PubChem CID169384095
Molecular FormulaC13H9BrFIN2
Molecular Weight419.04 g/mol
Exact Mass417.90
IUPAC NameN-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
SMILESFc1c(Br)ccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H9BrFIN2/c14-11-7-6-9(13(16)12(11)15)8-17-18-10-4-2-1-3-5-10/h1-8,18H
InChIKeySGTXBRBAOVWGNV-UHFFFAOYSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.04
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol
CID 169384110
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(2-bromo-6-iodophenyl)methylideneamino]aniline
CID 169384067
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
CID 169383987
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline?
The IUPAC name of N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline (CID 169384095) is N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline is Fc1c(Br)ccc(C=NNc2ccccc2)c1I.
What is the InChIKey of N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline?
The InChIKey is SGTXBRBAOVWGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIN2/c14-11-7-6-9(13(16)12(11)15)8-17-18-10-4-2-1-3-5-10/h1-8,18H.
What are the key properties of N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline?
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline has a molecular weight of 419.04 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline is sourced from PubChem (CID 169384095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).