2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide

C17H16F2N2O2 — CID 2803937

IUPAC2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
SMILESO=C(NCCC/N=C/c1ccccc1O)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)16(13)17(23)21-10-4-9-20-11-12-5-1-2-8-15(12)22/h1-3,5-8,11,22H,4,9-10H2,(H,21,23)/b20-11+
InChIKeyNKZMYQGTKXYPHZ-RGVLZGJSSA-N
MW318.32 g/mol
LogP2.91
Rot. Bonds6

About 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide

2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide (PubChem CID 2803937) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
PubChem CID2803937
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
SMILESO=C(NCCC/N=C/c1ccccc1O)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)16(13)17(23)21-10-4-9-20-11-12-5-1-2-8-15(12)22/h1-3,5-8,11,22H,4,9-10H2,(H,21,23)/b20-11+
InChIKeyNKZMYQGTKXYPHZ-RGVLZGJSSA-N
XLogP2.91
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide (CID 2803937) is 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide is O=C(NCCC/N=C/c1ccccc1O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The InChIKey is NKZMYQGTKXYPHZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)16(13)17(23)21-10-4-9-20-11-12-5-1-2-8-15(12)22/h1-3,5-8,11,22H,4,9-10H2,(H,21,23)/b20-11+.
What are the key properties of 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide is sourced from PubChem (CID 2803937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).