tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate

C15H21FN2O3 — CID 162689282

IUPACtert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)N(C)c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)17(4)10-13(19)18(5)12-8-6-11(16)7-9-12/h6-9H,10H2,1-5H3
InChIKeyHMRKNEDCFRCDCZ-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate

tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 162689282) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID162689282
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)N(C)c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)17(4)10-13(19)18(5)12-8-6-11(16)7-9-12/h6-9H,10H2,1-5H3
InChIKeyHMRKNEDCFRCDCZ-UHFFFAOYSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate (CID 162689282) is tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)N(C)c1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is HMRKNEDCFRCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)17(4)10-13(19)18(5)12-8-6-11(16)7-9-12/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate?
tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 296.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 162689282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).