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

C14H11Cl3N2O — CID 114323553

IUPAC4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c15-8-4-5-9(14(18)19)13(6-8)20-7-10-11(16)2-1-3-12(10)17/h1-6H,7H2,(H3,18,19)
InChIKeyPRYQEYQSPGPVBQ-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.51
Rot. Bonds4

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

4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide (PubChem CID 114323553) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
PubChem CID114323553
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c15-8-4-5-9(14(18)19)13(6-8)20-7-10-11(16)2-1-3-12(10)17/h1-6H,7H2,(H3,18,19)
InChIKeyPRYQEYQSPGPVBQ-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'}

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Related Compounds

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide (CID 114323553) is 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is PRYQEYQSPGPVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c15-8-4-5-9(14(18)19)13(6-8)20-7-10-11(16)2-1-3-12(10)17/h1-6H,7H2,(H3,18,19).
What are the key properties of 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide?
4-chloro-2-[(2,6-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 4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).