tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate

C17H19FN2O2 — CID 68582178

IUPACtert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccccn1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)20-11-12-7-8-13(18)10-14(12)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyFIHRDOYXGGZPKL-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate

tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate (PubChem CID 68582178) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate
PubChem CID68582178
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Nametert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccccn1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)20-11-12-7-8-13(18)10-14(12)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyFIHRDOYXGGZPKL-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate (CID 68582178) is tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1ccccn1.
What is the InChIKey of tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate?
The InChIKey is FIHRDOYXGGZPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2,3)22-16(21)20-11-12-7-8-13(18)10-14(12)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate?
tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 68582178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).