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

C14H14ClFN2O — CID 139684931

IUPAC2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O.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
InChIKeyZKEWABZFKYYMRJ-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.42
Rot. Bonds3

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

2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride (PubChem CID 139684931) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
PubChem CID139684931
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O.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
InChIKeyZKEWABZFKYYMRJ-UHFFFAOYSA-N
XLogP2.42
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.42
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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Related Compounds

2,2,2-tris(4-fluorophenyl)ethanimidamide
CID 68675497
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
ethyl 2-hydroxy-2,2-diphenylethanimidate
CID 139840851
N-(4-fluorophenyl)-2-hydroxy-2,2-diphenylacetamide
CID 693053
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-(4-fluorophenyl)propan-2-ol
CID 637733
(S)-(4-fluorophenyl)-[(4R,5R)-5-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 10323785
2-(3,4-difluorophenyl)-2-hydroxy-2-phenylacetamide
CID 139993859
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(2R)-2-amino-2-methyl-3-phenylpropanimidamide
CID 70333912
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride (CID 139684931) is 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(O)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
The InChIKey is ZKEWABZFKYYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O.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-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride?
2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride has a molecular weight of 280.73 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-2-phenylethanimidamide;hydrochloride is sourced from PubChem (CID 139684931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).