tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate

C17H21FN2O3 — CID 107240911

IUPACtert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cc(NC(=O)OC(C)(C)C)ccc1F)c1ccco1
InChIInChI=1S/C17H21FN2O3/c1-11(15-6-5-9-22-15)19-14-10-12(7-8-13(14)18)20-16(21)23-17(2,3)4/h5-11,19H,1-4H3,(H,20,21)
InChIKeyFADFFODWKBXNLX-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.94
Rot. Bonds4

About tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate

tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate (PubChem CID 107240911) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
PubChem CID107240911
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Nametert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
SMILESCC(Nc1cc(NC(=O)OC(C)(C)C)ccc1F)c1ccco1
InChIInChI=1S/C17H21FN2O3/c1-11(15-6-5-9-22-15)19-14-10-12(7-8-13(14)18)20-16(21)23-17(2,3)4/h5-11,19H,1-4H3,(H,20,21)
InChIKeyFADFFODWKBXNLX-UHFFFAOYSA-N
XLogP4.94
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-fluoro-3-[(3-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107241015
tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
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tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
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tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
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tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55967524
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
tert-butyl N-[4-fluoro-3-(pyridin-4-ylmethylamino)phenyl]carbamate
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tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
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tert-butyl N-[4-fluoro-3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107241037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate (CID 107240911) is tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate is CC(Nc1cc(NC(=O)OC(C)(C)C)ccc1F)c1ccco1.
What is the InChIKey of tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate?
The InChIKey is FADFFODWKBXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(15-6-5-9-22-15)19-14-10-12(7-8-13(14)18)20-16(21)23-17(2,3)4/h5-11,19H,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate has a molecular weight of 320.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 107240911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).