tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate

C14H19FN2O3 — CID 47451260

IUPACtert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-9-5-6-10(15)7-11(9)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUCSZCMXQBDIACZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate (PubChem CID 47451260) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
PubChem CID47451260
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-9-5-6-10(15)7-11(9)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyUCSZCMXQBDIACZ-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9077789
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate (CID 47451260) is tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate is Cc1ccc(F)cc1NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is UCSZCMXQBDIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-5-6-10(15)7-11(9)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 47451260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).