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

C18H21FN2O2 — CID 70663708

IUPACtert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3
InChIKeyTVVYLRUOOSFRGZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.57
Rot. Bonds2

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

tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate (PubChem CID 70663708) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
PubChem CID70663708
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3
InChIKeyTVVYLRUOOSFRGZ-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate (CID 70663708) is tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate is Cc1cc(F)ccc1-c1ccncc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
The InChIKey is TVVYLRUOOSFRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-10-13(19)6-7-14(12)15-8-9-20-11-16(15)21(5)17(22)23-18(2,3)4/h6-11H,1-5H3.
What are the key properties of tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate?
tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate has a molecular weight of 316.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 70663708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).