N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline

C14H12BrFN2 — CID 141313983

IUPACN-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2/c1-10(13-8-7-11(15)9-14(13)16)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPDXBPMQRIAFCCX-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline

N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline (PubChem CID 141313983) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline
PubChem CID141313983
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFN2/c1-10(13-8-7-11(15)9-14(13)16)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPDXBPMQRIAFCCX-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline (CID 141313983) is N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline is CC(=NNc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline?
The InChIKey is PDXBPMQRIAFCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-10(13-8-7-11(15)9-14(13)16)17-18-12-5-3-2-4-6-12/h2-9,18H,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline?
N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline has a molecular weight of 307.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 141313983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).