4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide

C15H12Cl2FN3O2 — CID 7039368

IUPAC4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide
SMILESO/N=C\N=C(\NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3O2/c16-11-6-4-10(5-7-11)15(19-9-20-22)21-23-8-12-13(17)2-1-3-14(12)18/h1-7,9,22H,8H2,(H,19,20,21)
InChIKeyLPUSFWAFXAZMBM-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.02
Rot. Bonds5

About 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide

4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide (PubChem CID 7039368) has the molecular formula C15H12Cl2FN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide
PubChem CID7039368
Molecular FormulaC15H12Cl2FN3O2
Molecular Weight356.18 g/mol
Exact Mass355.03
IUPAC Name4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide
SMILESO/N=C\N=C(\NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3O2/c16-11-6-4-10(5-7-11)15(19-9-20-22)21-23-8-12-13(17)2-1-3-14(12)18/h1-7,9,22H,8H2,(H,19,20,21)
InChIKeyLPUSFWAFXAZMBM-UHFFFAOYSA-N
XLogP4.02
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.02
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 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide 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-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
CID 5713965
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
CID 9583522
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 9583523
4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(E)-hydroxyiminomethyl]benzenecarboximidamide
CID 9583524
1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695436
1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695437
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]benzenecarboximidamide
CID 2805416
4-Chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-[(dimethylamino)methylidene]benzene-1-carboximidamide
CID 2805417
4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-(hydroxyiminomethyl)benzenecarboximidamide
CID 2805418
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 40483835
4-chloro-N'-[(2-fluorophenyl)methoxy]benzenecarboximidamide
CID 43013388
4-[(2-chlorophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43097083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide?
The IUPAC name of 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide (CID 7039368) is 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide is O/N=C\N=C(\NOCc1c(F)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide?
The InChIKey is LPUSFWAFXAZMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O2/c16-11-6-4-10(5-7-11)15(19-9-20-22)21-23-8-12-13(17)2-1-3-14(12)18/h1-7,9,22H,8H2,(H,19,20,21).
What are the key properties of 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide?
4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide has a molecular weight of 356.18 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chloro-6-fluorophenyl)methoxy]-N'-[(Z)-hydroxyiminomethyl]benzenecarboximidamide is sourced from PubChem (CID 7039368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).