2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide

C13H17FN2O — CID 19700399

IUPAC2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C/N=C/c1ccccc1F
InChIInChI=1S/C13H17FN2O/c1-10(2)7-16-13(17)9-15-8-11-5-3-4-6-12(11)14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)/b15-8+
InChIKeyKRVIPAFHINHXTL-OVCLIPMQSA-N
MW236.29 g/mol
LogP2.02
Rot. Bonds5

About 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide

2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide (PubChem CID 19700399) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide
PubChem CID19700399
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C/N=C/c1ccccc1F
InChIInChI=1S/C13H17FN2O/c1-10(2)7-16-13(17)9-15-8-11-5-3-4-6-12(11)14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)/b15-8+
InChIKeyKRVIPAFHINHXTL-OVCLIPMQSA-N
XLogP2.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 7703301
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614
N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930390
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone
CID 19709527
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide (CID 19700399) is 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C/N=C/c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide?
The InChIKey is KRVIPAFHINHXTL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10(2)7-16-13(17)9-15-8-11-5-3-4-6-12(11)14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)/b15-8+.
What are the key properties of 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide?
2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 19700399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).