4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide

C13H17FN2O — CID 90688230

IUPAC4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide
SMILESC/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-9(15-4)13(2,3)16-12(17)10-5-7-11(14)8-6-10/h5-8H,1-4H3,(H,16,17)/b15-9+
InChIKeyIAFAUSUURCLRGS-OQLLNIDSSA-N
MW236.29 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide

4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide (PubChem CID 90688230) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide
PubChem CID90688230
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide
SMILESC/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-9(15-4)13(2,3)16-12(17)10-5-7-11(14)8-6-10/h5-8H,1-4H3,(H,16,17)/b15-9+
InChIKeyIAFAUSUURCLRGS-OQLLNIDSSA-N
XLogP2.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.42
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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide (CID 90688230) is 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide is C/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide?
The InChIKey is IAFAUSUURCLRGS-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(15-4)13(2,3)16-12(17)10-5-7-11(14)8-6-10/h5-8H,1-4H3,(H,16,17)/b15-9+.
What are the key properties of 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide?
4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide has a molecular weight of 236.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-3-methyliminobutan-2-yl)benzamide is sourced from PubChem (CID 90688230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).