2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide

C16H15F2N3O — CID 7933313

IUPAC2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2N3O/c1-11(16-13(17)8-5-9-14(16)18)20-21-15(22)10-19-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-11-
InChIKeyNRARWOIAZAIAKM-JAIQZWGSSA-N
MW303.31 g/mol
LogP2.92
Rot. Bonds5

About 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide

2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide (PubChem CID 7933313) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
PubChem CID7933313
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2N3O/c1-11(16-13(17)8-5-9-14(16)18)20-21-15(22)10-19-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-11-
InChIKeyNRARWOIAZAIAKM-JAIQZWGSSA-N
XLogP2.92
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.92
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

2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
CID 97002883
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416891
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
CID 48917207
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide (CID 7933313) is 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CNc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide?
The InChIKey is NRARWOIAZAIAKM-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H15F2N3O/c1-11(16-13(17)8-5-9-14(16)18)20-21-15(22)10-19-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-11-.
What are the key properties of 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide?
2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide has a molecular weight of 303.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7933313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).