2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide

C10H11Cl3N2O — CID 12504730

IUPAC2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide
SMILESN/C(=N\CCc1ccc(O)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3N2O/c11-10(12,13)9(14)15-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyNPJDADMARPRANJ-UHFFFAOYSA-N
MW281.57 g/mol
LogP2.66
Rot. Bonds3

About 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide

2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide (PubChem CID 12504730) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide
PubChem CID12504730
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide
SMILESN/C(=N\CCc1ccc(O)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3N2O/c11-10(12,13)9(14)15-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyNPJDADMARPRANJ-UHFFFAOYSA-N
XLogP2.66
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide?
The IUPAC name of 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide (CID 12504730) is 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide is N/C(=N\CCc1ccc(O)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide?
The InChIKey is NPJDADMARPRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c11-10(12,13)9(14)15-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15).
What are the key properties of 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide?
2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide has a molecular weight of 281.57 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide is sourced from PubChem (CID 12504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).