2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide

C8H8Cl2N2O — CID 45121970

IUPAC2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide
SMILES[H]/N=C(\N)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7,13H,(H3,11,12)
InChIKeyNXCBDAHPTVTDJW-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.96
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide

2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide (PubChem CID 45121970) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide
PubChem CID45121970
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide
SMILES[H]/N=C(\N)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7,13H,(H3,11,12)
InChIKeyNXCBDAHPTVTDJW-UHFFFAOYSA-N
XLogP1.96
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.96
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide (CID 45121970) is 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide is [H]/N=C(\N)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide?
The InChIKey is NXCBDAHPTVTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,7,13H,(H3,11,12).
What are the key properties of 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide?
2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide has a molecular weight of 219.07 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-hydroxyethanimidamide is sourced from PubChem (CID 45121970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).