2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H11Cl3N2O2 — CID 114323309

IUPAC2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-11(9)17)7-21-12-3-1-2-10(16)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyDREGQQLNOMZEGE-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 114323309) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID114323309
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Name2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-11(9)17)7-21-12-3-1-2-10(16)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyDREGQQLNOMZEGE-UHFFFAOYSA-N
XLogP4.32
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.32
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'}

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Related Compounds

2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 114323309) is 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DREGQQLNOMZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-11(9)17)7-21-12-3-1-2-10(16)13(12)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 345.61 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114323309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).