N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline

C14H11BrF2N2 — CID 6005744

IUPACN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C14H11BrF2N2/c1-9(11-4-2-3-5-12(11)15)18-19-14-7-6-10(16)8-13(14)17/h2-8,19H,1H3/b18-9-
InChIKeySFMCBOJUDYZQTD-NVMNQCDNSA-N
MW325.16 g/mol
LogP4.56
Rot. Bonds3

About N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline

N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline (PubChem CID 6005744) has the molecular formula C14H11BrF2N2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline
PubChem CID6005744
Molecular FormulaC14H11BrF2N2
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline
SMILESC/C(=N/Nc1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C14H11BrF2N2/c1-9(11-4-2-3-5-12(11)15)18-19-14-7-6-10(16)8-13(14)17/h2-8,19H,1H3/b18-9-
InChIKeySFMCBOJUDYZQTD-NVMNQCDNSA-N
XLogP4.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.56
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-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline (CID 6005744) is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline is C/C(=N/Nc1ccc(F)cc1F)c1ccccc1Br.
What is the InChIKey of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline?
The InChIKey is SFMCBOJUDYZQTD-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H11BrF2N2/c1-9(11-4-2-3-5-12(11)15)18-19-14-7-6-10(16)8-13(14)17/h2-8,19H,1H3/b18-9-.
What are the key properties of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline?
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline has a molecular weight of 325.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 6005744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).