butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate

C17H19FN2O2 — CID 123490166

IUPACbutyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
SMILESCCCCOC(=O)Nc1cnccc1-c1ccc(F)cc1C
InChIInChI=1S/C17H19FN2O2/c1-3-4-9-22-17(21)20-16-11-19-8-7-15(16)14-6-5-13(18)10-12(14)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyUFMPUOZOGIKWAM-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.54
Rot. Bonds5

About butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate

butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate (PubChem CID 123490166) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
PubChem CID123490166
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Namebutyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
SMILESCCCCOC(=O)Nc1cnccc1-c1ccc(F)cc1C
InChIInChI=1S/C17H19FN2O2/c1-3-4-9-22-17(21)20-16-11-19-8-7-15(16)14-6-5-13(18)10-12(14)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyUFMPUOZOGIKWAM-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate?
The IUPAC name of butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate (CID 123490166) is butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate.
What is the SMILES notation for butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate?
The canonical SMILES for butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate is CCCCOC(=O)Nc1cnccc1-c1ccc(F)cc1C.
What is the InChIKey of butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate?
The InChIKey is UFMPUOZOGIKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-4-9-22-17(21)20-16-11-19-8-7-15(16)14-6-5-13(18)10-12(14)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate?
butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 123490166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).