2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide

C14H12Cl2N4O — CID 141195761

IUPAC2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)c(Cl)c1Oc1ccccc1/C(N)=N\[H]
InChIInChI=1S/C14H12Cl2N4O/c15-9-6-5-8(14(19)20)12(11(9)16)21-10-4-2-1-3-7(10)13(17)18/h1-6H,(H3,17,18)(H3,19,20)
InChIKeyZROIFXGMAIHTSX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.35
Rot. Bonds4

About 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide

2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide (PubChem CID 141195761) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
PubChem CID141195761
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)c(Cl)c1Oc1ccccc1/C(N)=N\[H]
InChIInChI=1S/C14H12Cl2N4O/c15-9-6-5-8(14(19)20)12(11(9)16)21-10-4-2-1-3-7(10)13(17)18/h1-6H,(H3,17,18)(H3,19,20)
InChIKeyZROIFXGMAIHTSX-UHFFFAOYSA-N
XLogP3.35
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
CID 43804671
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-(2-chloro-5-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107110702

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide?
The IUPAC name of 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide (CID 141195761) is 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide?
The canonical SMILES for 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)c(Cl)c1Oc1ccccc1/C(N)=N\[H].
What is the InChIKey of 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide?
The InChIKey is ZROIFXGMAIHTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-9-6-5-8(14(19)20)12(11(9)16)21-10-4-2-1-3-7(10)13(17)18/h1-6H,(H3,17,18)(H3,19,20).
What are the key properties of 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide?
2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide has a molecular weight of 323.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide is sourced from PubChem (CID 141195761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).