tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate

C13H17FN2O4 — CID 165341337

IUPACtert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)20-12(19)15-7-11(18)16-10-5-4-8(17)6-9(10)14/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyRSKDULMIIILUHO-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate (PubChem CID 165341337) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
PubChem CID165341337
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Nametert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)20-12(19)15-7-11(18)16-10-5-4-8(17)6-9(10)14/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyRSKDULMIIILUHO-UHFFFAOYSA-N
XLogP1.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
2-(3,4-dimethylphenyl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 64792942
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-oxo-2-[2-[(2,3,4-trifluorobenzoyl)amino]anilino]ethyl]carbamate
CID 108917393
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917462

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate (CID 165341337) is tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccc(O)cc1F.
What is the InChIKey of tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate?
The InChIKey is RSKDULMIIILUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-13(2,3)20-12(19)15-7-11(18)16-10-5-4-8(17)6-9(10)14/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate has a molecular weight of 284.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 165341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).