5-bromo-2-(4-fluoroanilino)benzaldehyde

C13H9BrFNO — CID 17201740

IUPAC5-bromo-2-(4-fluoroanilino)benzaldehyde
SMILESO=Cc1cc(Br)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO/c14-10-1-6-13(9(7-10)8-17)16-12-4-2-11(15)3-5-12/h1-8,16H
InChIKeyQYJNUGGTWQBSOC-UHFFFAOYSA-N
MW294.12 g/mol
LogP4.14
Rot. Bonds3

About 5-bromo-2-(4-fluoroanilino)benzaldehyde

5-bromo-2-(4-fluoroanilino)benzaldehyde (PubChem CID 17201740) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoroanilino)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(4-fluoroanilino)benzaldehyde
PubChem CID17201740
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name5-bromo-2-(4-fluoroanilino)benzaldehyde
SMILESO=Cc1cc(Br)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO/c14-10-1-6-13(9(7-10)8-17)16-12-4-2-11(15)3-5-12/h1-8,16H
InChIKeyQYJNUGGTWQBSOC-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
5-bromo-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 134405282
4-bromo-2-ethenyl-N-phenylaniline
CID 139501916
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde
CID 155712996
5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate
CID 68956988
4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
CID 89195233
3-(4-fluoroanilino)cyclobut-3-ene-1,2-dione
CID 154453029
2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
CID 11675116
2-(3-fluoroanilino)benzaldehyde
CID 89300510
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoroanilino)benzaldehyde?
The IUPAC name of 5-bromo-2-(4-fluoroanilino)benzaldehyde (CID 17201740) is 5-bromo-2-(4-fluoroanilino)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(4-fluoroanilino)benzaldehyde?
The canonical SMILES for 5-bromo-2-(4-fluoroanilino)benzaldehyde is O=Cc1cc(Br)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-(4-fluoroanilino)benzaldehyde?
The InChIKey is QYJNUGGTWQBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-10-1-6-13(9(7-10)8-17)16-12-4-2-11(15)3-5-12/h1-8,16H.
What are the key properties of 5-bromo-2-(4-fluoroanilino)benzaldehyde?
5-bromo-2-(4-fluoroanilino)benzaldehyde has a molecular weight of 294.12 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoroanilino)benzaldehyde is sourced from PubChem (CID 17201740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).