2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide

C20H15ClF2N2O — CID 72986217

IUPAC2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClF2N2O/c21-18-4-2-1-3-17(18)20(19(24)25-26,13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,26H,(H2,24,25)
InChIKeyBYMVMERQSJVEEQ-UHFFFAOYSA-N
MW372.80 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide

2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide (PubChem CID 72986217) has the molecular formula C20H15ClF2N2O and a molecular weight of 372.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide
PubChem CID72986217
Molecular FormulaC20H15ClF2N2O
Molecular Weight372.80 g/mol
Exact Mass372.08
IUPAC Name2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClF2N2O/c21-18-4-2-1-3-17(18)20(19(24)25-26,13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,26H,(H2,24,25)
InChIKeyBYMVMERQSJVEEQ-UHFFFAOYSA-N
XLogP4.70
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 54.70
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide (CID 72986217) is 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide is NC(=NO)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide?
The InChIKey is BYMVMERQSJVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O/c21-18-4-2-1-3-17(18)20(19(24)25-26,13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,26H,(H2,24,25).
What are the key properties of 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide?
2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide has a molecular weight of 372.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2,2-bis(4-fluorophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 72986217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).