N'-amino-2-(2,6-dichlorophenyl)ethanimidamide

C8H9Cl2N3 — CID 76923044

IUPACN'-amino-2-(2,6-dichlorophenyl)ethanimidamide
SMILESNN=C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-3-7(10)5(6)4-8(11)13-12/h1-3H,4,12H2,(H2,11,13)
InChIKeyOZAQCARIMDXRGT-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.77
Rot. Bonds2

About N'-amino-2-(2,6-dichlorophenyl)ethanimidamide

N'-amino-2-(2,6-dichlorophenyl)ethanimidamide (PubChem CID 76923044) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is N'-amino-2-(2,6-dichlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(2,6-dichlorophenyl)ethanimidamide
PubChem CID76923044
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC NameN'-amino-2-(2,6-dichlorophenyl)ethanimidamide
SMILESNN=C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-3-7(10)5(6)4-8(11)13-12/h1-3H,4,12H2,(H2,11,13)
InChIKeyOZAQCARIMDXRGT-UHFFFAOYSA-N
XLogP1.77
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
CID 12728425
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-(2,4-dichlorophenyl)thiourea
CID 74990545
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 51131579
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
CID 135405955
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
2-[2-(2,6-dichlorophenyl)ethylideneamino]guanidine
CID 140896130

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(2,6-dichlorophenyl)ethanimidamide?
The IUPAC name of N'-amino-2-(2,6-dichlorophenyl)ethanimidamide (CID 76923044) is N'-amino-2-(2,6-dichlorophenyl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(2,6-dichlorophenyl)ethanimidamide?
The canonical SMILES for N'-amino-2-(2,6-dichlorophenyl)ethanimidamide is NN=C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-amino-2-(2,6-dichlorophenyl)ethanimidamide?
The InChIKey is OZAQCARIMDXRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c9-6-2-1-3-7(10)5(6)4-8(11)13-12/h1-3H,4,12H2,(H2,11,13).
What are the key properties of N'-amino-2-(2,6-dichlorophenyl)ethanimidamide?
N'-amino-2-(2,6-dichlorophenyl)ethanimidamide has a molecular weight of 218.09 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(2,6-dichlorophenyl)ethanimidamide is sourced from PubChem (CID 76923044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).