5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide

C18H20FNO2 — CID 58989797

IUPAC5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide
SMILESCC(C)(C)c1ccc(F)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)14-9-10-16(19)15(11-14)17(21)20-22-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyIEGXSWPTWCNBHW-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.98
Rot. Bonds4

About 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide

5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide (PubChem CID 58989797) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide
PubChem CID58989797
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide
SMILESCC(C)(C)c1ccc(F)c(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)14-9-10-16(19)15(11-14)17(21)20-22-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyIEGXSWPTWCNBHW-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide?
The IUPAC name of 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide (CID 58989797) is 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide is CC(C)(C)c1ccc(F)c(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide?
The InChIKey is IEGXSWPTWCNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)14-9-10-16(19)15(11-14)17(21)20-22-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide?
5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 58989797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).