4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide

C12H15FN2O — CID 91520738

IUPAC4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide
SMILES[H]/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-8(14)12(2,3)15-11(16)9-4-6-10(13)7-5-9/h4-7,14H,1-3H3,(H,15,16)/b14-8+
InChIKeyLJSGQFOZGCMTKU-RIYZIHGNSA-N
MW222.26 g/mol
LogP2.37
Rot. Bonds3

About 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide

4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide (PubChem CID 91520738) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide
PubChem CID91520738
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide
SMILES[H]/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-8(14)12(2,3)15-11(16)9-4-6-10(13)7-5-9/h4-7,14H,1-3H3,(H,15,16)/b14-8+
InChIKeyLJSGQFOZGCMTKU-RIYZIHGNSA-N
XLogP2.37
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide (CID 91520738) is 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide is [H]/N=C(\C)C(C)(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide?
The InChIKey is LJSGQFOZGCMTKU-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(14)12(2,3)15-11(16)9-4-6-10(13)7-5-9/h4-7,14H,1-3H3,(H,15,16)/b14-8+.
What are the key properties of 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide?
4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide has a molecular weight of 222.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-imino-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 91520738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).