N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline

C13H10BrFN2 — CID 169381492

IUPACN-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
SMILESFc1ccc(C=NNc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrFN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-9,17H
InChIKeyMUSHIASWKMWKNU-UHFFFAOYSA-N
MW293.14 g/mol
LogP4.03
Rot. Bonds3

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

N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline (PubChem CID 169381492) has the molecular formula C13H10BrFN2 and a molecular weight of 293.14 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
PubChem CID169381492
Molecular FormulaC13H10BrFN2
Molecular Weight293.14 g/mol
Exact Mass292.00
IUPAC NameN-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
SMILESFc1ccc(C=NNc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrFN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-9,17H
InChIKeyMUSHIASWKMWKNU-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 54.03
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-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
CID 169384176
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline (CID 169381492) is N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline is Fc1ccc(C=NNc2ccccc2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline?
The InChIKey is MUSHIASWKMWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2/c14-13-8-11(15)7-6-10(13)9-16-17-12-4-2-1-3-5-12/h1-9,17H.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline?
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline has a molecular weight of 293.14 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 169381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).