N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline

C14H12BrFN2 — CID 11301243

IUPACN-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
SMILESCc1ccc(/C=N/Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C14H12BrFN2/c1-10-2-3-11(14(15)8-10)9-17-18-13-6-4-12(16)5-7-13/h2-9,18H,1H3/b17-9+
InChIKeyOMBIRMLNRRELBL-RQZCQDPDSA-N
MW307.17 g/mol
LogP4.34
Rot. Bonds3

About N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline

N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline (PubChem CID 11301243) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
PubChem CID11301243
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
SMILESCc1ccc(/C=N/Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C14H12BrFN2/c1-10-2-3-11(14(15)8-10)9-17-18-13-6-4-12(16)5-7-13/h2-9,18H,1H3/b17-9+
InChIKeyOMBIRMLNRRELBL-RQZCQDPDSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline (CID 11301243) is N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline is Cc1ccc(/C=N/Nc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline?
The InChIKey is OMBIRMLNRRELBL-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-10-2-3-11(14(15)8-10)9-17-18-13-6-4-12(16)5-7-13/h2-9,18H,1H3/b17-9+.
What are the key properties of N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline?
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline has a molecular weight of 307.17 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 11301243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).