2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H12ClFN2O2 — CID 76905309

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-11-5-3-6-12(16)10(11)8-20-13-7-2-1-4-9(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyBAANCEBCJGQAFM-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 76905309) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID76905309
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-11-5-3-6-12(16)10(11)8-20-13-7-2-1-4-9(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyBAANCEBCJGQAFM-UHFFFAOYSA-N
XLogP3.15
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.15
H-Bond Donors ≤ 52
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-chloro-6-fluorophenyl)methoxy]-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

4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 60723029
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 175042655

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 76905309) is 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is BAANCEBCJGQAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-11-5-3-6-12(16)10(11)8-20-13-7-2-1-4-9(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76905309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).