2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

C15H13FN2O4 — CID 137304420

IUPAC2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C15H13FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,19,21-22H,7H2,(H,18,20)/b17-8+
InChIKeyWRFQWVSWEOGOBO-CAOOACKPSA-N
MW304.28 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (PubChem CID 137304420) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
PubChem CID137304420
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C15H13FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,19,21-22H,7H2,(H,18,20)/b17-8+
InChIKeyWRFQWVSWEOGOBO-CAOOACKPSA-N
XLogP1.64
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (CID 137304420) is 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(O)c1O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WRFQWVSWEOGOBO-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,8,19,21-22H,7H2,(H,18,20)/b17-8+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 304.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137304420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).