(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide

C16H15FN2O2 — CID 135407401

IUPAC(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C(\O)c1ccc(F)cc1)=N\c1cccc(CO)c1
InChIInChI=1S/C16H15FN2O2/c17-13-6-4-12(5-7-13)15(21)9-16(18)19-14-3-1-2-11(8-14)10-20/h1-9,20-21H,10H2,(H2,18,19)/b15-9-
InChIKeyQNOHXFBZKCZJLC-DHDCSXOGSA-N
MW286.31 g/mol
LogP2.91
Rot. Bonds4

About (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide

(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide (PubChem CID 135407401) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide
PubChem CID135407401
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C(\O)c1ccc(F)cc1)=N\c1cccc(CO)c1
InChIInChI=1S/C16H15FN2O2/c17-13-6-4-12(5-7-13)15(21)9-16(18)19-14-3-1-2-11(8-14)10-20/h1-9,20-21H,10H2,(H2,18,19)/b15-9-
InChIKeyQNOHXFBZKCZJLC-DHDCSXOGSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide (CID 135407401) is (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide is NC(/C=C(\O)c1ccc(F)cc1)=N\c1cccc(CO)c1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide?
The InChIKey is QNOHXFBZKCZJLC-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-6-4-12(5-7-13)15(21)9-16(18)19-14-3-1-2-11(8-14)10-20/h1-9,20-21H,10H2,(H2,18,19)/b15-9-.
What are the key properties of (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide?
(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide has a molecular weight of 286.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide is sourced from PubChem (CID 135407401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).