4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline

C13H11BrFN3 — CID 152756378

IUPAC4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline
SMILESNN=C(c1cc(Br)ccc1N)c1ccccc1F
InChIInChI=1S/C13H11BrFN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7H,16-17H2
InChIKeyQZFAAVBSUXZOIF-UHFFFAOYSA-N
MW308.15 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline

4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline (PubChem CID 152756378) has the molecular formula C13H11BrFN3 and a molecular weight of 308.15 g/mol. Its IUPAC name is 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline
PubChem CID152756378
Molecular FormulaC13H11BrFN3
Molecular Weight308.15 g/mol
Exact Mass307.01
IUPAC Name4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline
SMILESNN=C(c1cc(Br)ccc1N)c1ccccc1F
InChIInChI=1S/C13H11BrFN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7H,16-17H2
InChIKeyQZFAAVBSUXZOIF-UHFFFAOYSA-N
XLogP2.88
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
4-Bromo-2-phenylaniline
CID 229550
Benzaldehyde, p-fluoro-, (p-bromophenyl)hydrazone
CID 9578596
Benzaldehyde, m-fluoro-, (p-bromophenyl)hydrazone
CID 9578597
4-Bromo-2-ethyl-5-fluoroaniline
CID 90146797
2-Amino-5-bromobenzophenone hydrazone
CID 625740
N-(benzhydrylideneamino)-4-bromoaniline
CID 13600553
4-Bromo-2-(1-phenylethenyl)aniline
CID 85725763
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2,4-difluoroaniline
CID 6005744
N-[(E)-(3-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 9646902
4-Bromo-2-[1-(2-fluorophenyl)ethenyl]aniline
CID 85855399
2-bromo-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 134868855

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline?
The IUPAC name of 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline (CID 152756378) is 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline.
What is the SMILES notation for 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline?
The canonical SMILES for 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline is NN=C(c1cc(Br)ccc1N)c1ccccc1F.
What is the InChIKey of 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline?
The InChIKey is QZFAAVBSUXZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7H,16-17H2.
What are the key properties of 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline?
4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline has a molecular weight of 308.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[C-(2-fluorophenyl)carbonohydrazonoyl]aniline is sourced from PubChem (CID 152756378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).