2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide

C14H12Cl2N2O — CID 55057065

IUPAC2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-8-5-6-9(14(17)18)12(7-8)19-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyZPNBHFFHOGKDLJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.38
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide

2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide (PubChem CID 55057065) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
PubChem CID55057065
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-8-5-6-9(14(17)18)12(7-8)19-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyZPNBHFFHOGKDLJ-UHFFFAOYSA-N
XLogP4.38
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.38
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

2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 107658488
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
CID 141195761
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide (CID 55057065) is 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is ZPNBHFFHOGKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-5-6-9(14(17)18)12(7-8)19-11-4-2-3-10(15)13(11)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide?
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide has a molecular weight of 295.17 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 55057065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).