N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide

C15H12F3N3O — CID 6902694

IUPACN-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
SMILESO=C(CNc1ccccc1F)N/N=C/c1c(F)cccc1F
InChIInChI=1S/C15H12F3N3O/c16-11-5-3-6-12(17)10(11)8-20-21-15(22)9-19-14-7-2-1-4-13(14)18/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyXPZYSJRKRAWTKH-DNTJNYDQSA-N
MW307.27 g/mol
LogP2.67
Rot. Bonds5

About N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide

N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide (PubChem CID 6902694) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
PubChem CID6902694
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC NameN-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
SMILESO=C(CNc1ccccc1F)N/N=C/c1c(F)cccc1F
InChIInChI=1S/C15H12F3N3O/c16-11-5-3-6-12(17)10(11)8-20-21-15(22)9-19-14-7-2-1-4-13(14)18/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyXPZYSJRKRAWTKH-DNTJNYDQSA-N
XLogP2.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6045668
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
CID 71699766
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135613934
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
CID 9359053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide?
The IUPAC name of N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide (CID 6902694) is N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide?
The canonical SMILES for N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide is O=C(CNc1ccccc1F)N/N=C/c1c(F)cccc1F.
What is the InChIKey of N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide?
The InChIKey is XPZYSJRKRAWTKH-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-11-5-3-6-12(17)10(11)8-20-21-15(22)9-19-14-7-2-1-4-13(14)18/h1-8,19H,9H2,(H,21,22)/b20-8+.
What are the key properties of N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide?
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide has a molecular weight of 307.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 6902694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).