2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide

C14H11Cl3N2O — CID 114323483

IUPAC2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c15-9-5-4-8(6-11(9)17)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyFNBLCYVQFYCPJH-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.51
Rot. Bonds4

About 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide

2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide (PubChem CID 114323483) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
PubChem CID114323483
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c15-9-5-4-8(6-11(9)17)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyFNBLCYVQFYCPJH-UHFFFAOYSA-N
XLogP4.51
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(3,4-dichlorophenyl)methoxy]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

2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
CID 113277395
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide
CID 114323489
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide (CID 114323483) is 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is FNBLCYVQFYCPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c15-9-5-4-8(6-11(9)17)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19).
What are the key properties of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide?
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 329.61 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).