2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide

C14H13BrFN3O — CID 107600744

IUPAC2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CNc1c(F)cccc1Br
InChIInChI=1S/C14H13BrFN3O/c15-11-6-3-7-12(16)13(11)18-8-9-4-1-2-5-10(9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19)
InChIKeyRIBVQNXCCKIKBD-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide

2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107600744) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107600744
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CNc1c(F)cccc1Br
InChIInChI=1S/C14H13BrFN3O/c15-11-6-3-7-12(16)13(11)18-8-9-4-1-2-5-10(9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19)
InChIKeyRIBVQNXCCKIKBD-UHFFFAOYSA-N
XLogP3.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide 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

2-[(5-bromo-2,4-difluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102854013
2-[(4-bromo-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026824
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
3-[(4-bromo-3-fluoroanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117163
2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026609
3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116893
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
CID 107598245
2-bromo-6-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 103741870
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
CID 43347758
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 107600744) is 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1CNc1c(F)cccc1Br.
What is the InChIKey of 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is RIBVQNXCCKIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c15-11-6-3-7-12(16)13(11)18-8-9-4-1-2-5-10(9)14(17)19-20/h1-7,18,20H,8H2,(H2,17,19).
What are the key properties of 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 338.18 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107600744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).