N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline

C13H9BrF2N2 — CID 9076261

IUPACN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
SMILESFc1ccc(N/N=C\c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C13H9BrF2N2/c14-12-7-9(1-6-13(12)16)8-17-18-11-4-2-10(15)3-5-11/h1-8,18H/b17-8-
InChIKeyINHNGUSRGMGHOB-IUXPMGMMSA-N
MW311.13 g/mol
LogP4.17
Rot. Bonds3

About N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline (PubChem CID 9076261) has the molecular formula C13H9BrF2N2 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
PubChem CID9076261
Molecular FormulaC13H9BrF2N2
Molecular Weight311.13 g/mol
Exact Mass309.99
IUPAC NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
SMILESFc1ccc(N/N=C\c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C13H9BrF2N2/c14-12-7-9(1-6-13(12)16)8-17-18-11-4-2-10(15)3-5-11/h1-8,18H/b17-8-
InChIKeyINHNGUSRGMGHOB-IUXPMGMMSA-N
XLogP4.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060518
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
N,N'-bis[(3-bromo-4-fluorophenyl)methylideneamino]propanediamide
CID 4625442
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
CID 4081969
2-bromo-6-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenol
CID 136712180
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline (CID 9076261) is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline is Fc1ccc(N/N=C\c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline?
The InChIKey is INHNGUSRGMGHOB-IUXPMGMMSA-N. The full InChI is InChI=1S/C13H9BrF2N2/c14-12-7-9(1-6-13(12)16)8-17-18-11-4-2-10(15)3-5-11/h1-8,18H/b17-8-.
What are the key properties of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline?
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline has a molecular weight of 311.13 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 9076261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).