N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline

C13H9Br2FN2 — CID 169383720

IUPACN-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
SMILESFc1cc(Br)c(Br)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9Br2FN2/c14-12-7-10(16)6-9(13(12)15)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyRSOLTPUVYOZBMT-UHFFFAOYSA-N
MW372.04 g/mol
LogP4.80
Rot. Bonds3

About N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline

N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline (PubChem CID 169383720) has the molecular formula C13H9Br2FN2 and a molecular weight of 372.04 g/mol. Its IUPAC name is N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
PubChem CID169383720
Molecular FormulaC13H9Br2FN2
Molecular Weight372.04 g/mol
Exact Mass369.91
IUPAC NameN-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
SMILESFc1cc(Br)c(Br)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H9Br2FN2/c14-12-7-10(16)6-9(13(12)15)8-17-18-11-4-2-1-3-5-11/h1-8,18H
InChIKeyRSOLTPUVYOZBMT-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.04
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
CID 169383987
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
CID 169384176
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline (CID 169383720) is N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline is Fc1cc(Br)c(Br)c(C=NNc2ccccc2)c1.
What is the InChIKey of N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline?
The InChIKey is RSOLTPUVYOZBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2/c14-12-7-10(16)6-9(13(12)15)8-17-18-11-4-2-1-3-5-11/h1-8,18H.
What are the key properties of N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline?
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline has a molecular weight of 372.04 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169383720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).