2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

C16H15FN2O3 — CID 135476466

IUPAC2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H15FN2O3/c1-22-15-9-14(20)6-5-12(15)10-18-19-16(21)8-11-3-2-4-13(17)7-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyUMSIOTDCEPUNLS-VCHYOVAHSA-N
MW302.31 g/mol
LogP2.23
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135476466) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID135476466
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H15FN2O3/c1-22-15-9-14(20)6-5-12(15)10-18-19-16(21)8-11-3-2-4-13(17)7-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyUMSIOTDCEPUNLS-VCHYOVAHSA-N
XLogP2.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (CID 135476466) is 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is COc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is UMSIOTDCEPUNLS-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-22-15-9-14(20)6-5-12(15)10-18-19-16(21)8-11-3-2-4-13(17)7-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+.
What are the key properties of 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 302.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135476466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).