2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium

C13H14FN2O2Y- — CID 153370073

IUPAC2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
SMILESCNC(=O)c1ccc(NC2([C-]=O)CCC2)cc1F.[Y]
InChIInChI=1S/C13H14FN2O2.Y/c1-15-12(18)10-4-3-9(7-11(10)14)16-13(8-17)5-2-6-13;/h3-4,7,16H,2,5-6H2,1H3,(H,15,18);/q-1;
InChIKeyVSJXEZIIAWNNIS-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium

2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium (PubChem CID 153370073) has the molecular formula C13H14FN2O2Y- and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
PubChem CID153370073
Molecular FormulaC13H14FN2O2Y-
Molecular Weight338.17 g/mol
Exact Mass338.01
IUPAC Name2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
SMILESCNC(=O)c1ccc(NC2([C-]=O)CCC2)cc1F.[Y]
InChIInChI=1S/C13H14FN2O2.Y/c1-15-12(18)10-4-3-9(7-11(10)14)16-13(8-17)5-2-6-13;/h3-4,7,16H,2,5-6H2,1H3,(H,15,18);/q-1;
InChIKeyVSJXEZIIAWNNIS-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 123687017
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
CID 118398490
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
CID 88957064
methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
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2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
CID 176511184
N-(1-but-1-en-2-ylcyclobutyl)-3-fluoro-4-[1-(methylamino)ethenyl]aniline
CID 170173670
ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
CID 175249459
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
3-[3-fluoro-4-(methylcarbamoyl)anilino]-2,5-dihydrofuran-2-carboxylic acid
CID 90374679
[3-fluoro-4-(methylcarbamoyl)anilino] (3R)-oxolane-3-carboxylate
CID 175138014
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium?
The IUPAC name of 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium (CID 153370073) is 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium.
What is the SMILES notation for 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium?
The canonical SMILES for 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium is CNC(=O)c1ccc(NC2([C-]=O)CCC2)cc1F.[Y].
What is the InChIKey of 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium?
The InChIKey is VSJXEZIIAWNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN2O2.Y/c1-15-12(18)10-4-3-9(7-11(10)14)16-13(8-17)5-2-6-13;/h3-4,7,16H,2,5-6H2,1H3,(H,15,18);/q-1;.
What are the key properties of 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium?
2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium has a molecular weight of 338.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium is sourced from PubChem (CID 153370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).