N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide

C22H18F2N2O — CID 6736075

IUPACN-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide
SMILESO=C(NN=Cc1cc(F)ccc1F)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H18F2N2O/c23-19-12-13-21(24)18(14-19)15-25-26-22(27)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,10-11H2,(H,26,27)
InChIKeyXELLYPXVWHMXKC-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.51
Rot. Bonds6

About N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide

N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide (PubChem CID 6736075) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide
PubChem CID6736075
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide
SMILESO=C(NN=Cc1cc(F)ccc1F)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H18F2N2O/c23-19-12-13-21(24)18(14-19)15-25-26-22(27)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,10-11H2,(H,26,27)
InChIKeyXELLYPXVWHMXKC-UHFFFAOYSA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide (CID 6736075) is N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide is O=C(NN=Cc1cc(F)ccc1F)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide?
The InChIKey is XELLYPXVWHMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O/c23-19-12-13-21(24)18(14-19)15-25-26-22(27)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,10-11H2,(H,26,27).
What are the key properties of N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide?
N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 6736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).