tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate

C17H24ClFN2O2 — CID 107239026

IUPACtert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O2/c1-10(11-5-6-15(19)14(18)7-11)20-12-8-13(9-12)21-16(22)23-17(2,3)4/h5-7,10,12-13,20H,8-9H2,1-4H3,(H,21,22)
InChIKeyLSDRRSPIHYFVKU-UHFFFAOYSA-N
MW342.84 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate (PubChem CID 107239026) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
PubChem CID107239026
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Nametert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2O2/c1-10(11-5-6-15(19)14(18)7-11)20-12-8-13(9-12)21-16(22)23-17(2,3)4/h5-7,10,12-13,20H,8-9H2,1-4H3,(H,21,22)
InChIKeyLSDRRSPIHYFVKU-UHFFFAOYSA-N
XLogP4.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
CID 113247871
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl 4-[1-(3-chloro-4-fluorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 60580692
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate (CID 107239026) is tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(Cl)c1.
What is the InChIKey of tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
The InChIKey is LSDRRSPIHYFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-10(11-5-6-15(19)14(18)7-11)20-12-8-13(9-12)21-16(22)23-17(2,3)4/h5-7,10,12-13,20H,8-9H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate has a molecular weight of 342.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107239026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).