N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline

C13H9BrF2N2 — CID 4218945

IUPACN-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(NN=Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H9BrF2N2/c14-10-3-1-9(2-4-10)8-17-18-13-6-5-11(15)7-12(13)16/h1-8,18H
InChIKeyWYEHMSFAXWNFAQ-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.17
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline

N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline (PubChem CID 4218945) has the molecular formula C13H9BrF2N2 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
PubChem CID4218945
Molecular FormulaC13H9BrF2N2
Molecular Weight311.13 g/mol
Exact Mass309.99
IUPAC NameN-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(NN=Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H9BrF2N2/c14-10-3-1-9(2-4-10)8-17-18-13-6-5-11(15)7-12(13)16/h1-8,18H
InChIKeyWYEHMSFAXWNFAQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline (CID 4218945) is N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline is Fc1ccc(NN=Cc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline?
The InChIKey is WYEHMSFAXWNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2/c14-10-3-1-9(2-4-10)8-17-18-13-6-5-11(15)7-12(13)16/h1-8,18H.
What are the key properties of N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline?
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline 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-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 4218945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).