4-bromo-2-(methylamino)benzenecarboximidoyl fluoride

C8H8BrFN2 — CID 145094809

IUPAC4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccc(Br)cc1NC
InChIInChI=1S/C8H8BrFN2/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,11-12H,1H3/b11-8-
InChIKeyBYXLLGKPTFMZBP-FLIBITNWSA-N
MW231.07 g/mol
LogP2.79
Rot. Bonds2

About 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride

4-bromo-2-(methylamino)benzenecarboximidoyl fluoride (PubChem CID 145094809) has the molecular formula C8H8BrFN2 and a molecular weight of 231.07 g/mol. Its IUPAC name is 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride.

Molecular Properties

Compound Name4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
PubChem CID145094809
Molecular FormulaC8H8BrFN2
Molecular Weight231.07 g/mol
Exact Mass229.99
IUPAC Name4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
SMILES[H]/N=C(\F)c1ccc(Br)cc1NC
InChIInChI=1S/C8H8BrFN2/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,11-12H,1H3/b11-8-
InChIKeyBYXLLGKPTFMZBP-FLIBITNWSA-N
XLogP2.79
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.07
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
2-(methylamino)benzenecarboximidoyl fluoride
CID 138666173
4-bromo-2-(methylamino)benzoic acid
CID 13384102
3-carbonofluorimidoyl-4-(methylamino)benzoic acid
CID 169241063
1-[4-bromo-2-(methylamino)benzenecarboximidoyl]-3-methyl-1-(3-oxopropyl)urea;ethane
CID 177155849
4-bromo-2-diazenyl-N-methylaniline
CID 149374593
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
CID 167273660
[4-bromo-2-(methylamino)phenyl]-hydroxyazanium
CID 170716961
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride?
The IUPAC name of 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride (CID 145094809) is 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride.
What is the SMILES notation for 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride?
The canonical SMILES for 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride is [H]/N=C(\F)c1ccc(Br)cc1NC.
What is the InChIKey of 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride?
The InChIKey is BYXLLGKPTFMZBP-FLIBITNWSA-N. The full InChI is InChI=1S/C8H8BrFN2/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,11-12H,1H3/b11-8-.
What are the key properties of 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride?
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride has a molecular weight of 231.07 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methylamino)benzenecarboximidoyl fluoride is sourced from PubChem (CID 145094809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).