tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate

C16H19FN2O3 — CID 107240685

IUPACtert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NCc2ccco2)ccc1F
InChIInChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-14-9-11(6-7-13(14)17)18-10-12-5-4-8-21-12/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyZANCGEVCPWIZTK-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate

tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate (PubChem CID 107240685) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
PubChem CID107240685
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Nametert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NCc2ccco2)ccc1F
InChIInChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-14-9-11(6-7-13(14)17)18-10-12-5-4-8-21-12/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyZANCGEVCPWIZTK-UHFFFAOYSA-N
XLogP4.38
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582
methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536
tert-butyl N-[4-fluoro-3-[(3-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107241015
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
CID 107240693
tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
CID 107240649
tert-butyl N-[5-(1-benzofuran-2-ylmethylcarbamoylamino)-2-fluorophenyl]carbamate
CID 86970315

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate (CID 107240685) is tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NCc2ccco2)ccc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate?
The InChIKey is ZANCGEVCPWIZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-16(2,3)22-15(20)19-14-9-11(6-7-13(14)17)18-10-12-5-4-8-21-12/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate?
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate has a molecular weight of 306.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107240685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).