2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride

C14H14Cl2N2O — CID 139630440

IUPAC2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O.ClH/c15-12-8-6-11(7-9-12)14(18,13(16)17)10-4-2-1-3-5-10;/h1-9,18H,(H3,16,17);1H
InChIKeyDVCSOLYORULLFW-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride

2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride (PubChem CID 139630440) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
PubChem CID139630440
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O.ClH/c15-12-8-6-11(7-9-12)14(18,13(16)17)10-4-2-1-3-5-10;/h1-9,18H,(H3,16,17);1H
InChIKeyDVCSOLYORULLFW-UHFFFAOYSA-N
XLogP2.93
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.93
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-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride (CID 139630440) is 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The InChIKey is DVCSOLYORULLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O.ClH/c15-12-8-6-11(7-9-12)14(18,13(16)17)10-4-2-1-3-5-10;/h1-9,18H,(H3,16,17);1H.
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride has a molecular weight of 297.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride is sourced from PubChem (CID 139630440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).