2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide

C15H13FN2O2 — CID 3046764

IUPAC2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide
SMILESNC(=O)C/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C15H13FN2O2/c16-11-6-7-13(19)12(8-11)15(18-9-14(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-15+
InChIKeyNQOHWIJDSNIPJW-OBGWFSINSA-N
MW272.28 g/mol
LogP1.85
Rot. Bonds4

About 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide

2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide (PubChem CID 3046764) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide.

Molecular Properties

Compound Name2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide
PubChem CID3046764
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide
SMILESNC(=O)C/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C15H13FN2O2/c16-11-6-7-13(19)12(8-11)15(18-9-14(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-15+
InChIKeyNQOHWIJDSNIPJW-OBGWFSINSA-N
XLogP1.85
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide?
The IUPAC name of 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide (CID 3046764) is 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide.
What is the SMILES notation for 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide?
The canonical SMILES for 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide is NC(=O)C/N=C(\c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide?
The InChIKey is NQOHWIJDSNIPJW-OBGWFSINSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-6-7-13(19)12(8-11)15(18-9-14(17)20)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,20)/b18-15+.
What are the key properties of 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide?
2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide has a molecular weight of 272.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]acetamide is sourced from PubChem (CID 3046764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).